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研究とドッキングする
ドッキング研究とは一般に分子モデリングと計算シミュレーションである。この場合、これは、コンピュータプログラムおよびアルゴリズムを使用して、合成された化合物が特定の生物学的標的(例えば、炎症に関与する酵素または受容体)とどのように相互作用するかを予測することを意味することができる。
化学原料を購入する必要がある場合は、 要求情報を送信してください最新の見積りを入手してください。
研究とドッキングするの学術論文
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Synthesis, evaluation and docking studies on 3-alkoxy-4-methanesulfonamido acetophenone derivatives as non ulcerogenic anti-inflammatory agents
関連化学物質
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1-(4-amino-3-n-butoxyphenyl)ethanone
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Conformational analyses of thiirane-based gelatinase inhibitors
関連化学物質
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2-bromo-1,3-dimethyl-5-phenoxybenzene
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Certain 4-iminoflavones derivatives: Synthesis, docking studies, antiasthmatic and antimicrobial agents
関連化学物質
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(E)-1-(2-hydroxy-4-methoxyphenyl)-3-p-tolylprop-2-en-1-one
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Design, synthesis and identification of novel substituted 2-amino thiazole analogues as potential anti-inflammatory agents targeting 5-lipoxygenase
関連化学物質
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Benzamide, N-[(diphenylamino)thioxomethyl]-4-nitro-
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Synthesis, biological evaluation, and docking studies of gigantol analogs as calmodulin inhibitors
関連化学物質
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4-[2-(3,5-dimethoxyphenyl)ethyl]-1-ethoxy-2-methoxybenzene
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Novel diphenyl ethers: Design, docking studies, synthesis and inhibition of enoyl ACP reductase of Plasmodium falciparum and Escherichia coli
関連化学物質
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3-hydroxy-4-phenoxy-benzoic acid
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Discovery of selective LRRK2 inhibitors guided by computational analysis and molecular modeling
関連化学物質
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5-chloro-N4-methyl-N2-phenylpyrimidine-2,4-diamine
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A search for dual action HIV-1 reverse transcriptase, bacterial RNA polymerase inhibitors
関連化学物質
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4-(4-methylphenyl)-3-(2-methylfuran-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
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Synthesis and evaluation of N-acetyl-l-tyrosine based compounds as PPARα selective activators
関連化学物質
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N-アセチル-L-チロシンエチル
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1H-indole derivatives as calcium antagonists
関連化学物質
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[3-(1-Hydroxy-propyl)-2-methyl-5-nitro-indol-1-yl]-phenyl-methanone
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2-acetylphenol analogs as potent reversible monoamine oxidase inhibitors
関連化学物質
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1-(4-(4-cyanobenzyloxy)-2-hydroxyphenyl)ethanone
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Synthesis and bioactivity of 3,5-dimethylpyrazole derivatives as potential PDE4 inhibitors
関連化学物質
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5-(2,4-difluorophenyl)-2-furoyl chloride
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Synthesis, biological evaluation, and molecular modeling of nitrile-containing compounds: Exploring multiple activities as anti-Alzheimer agents
関連化学物質
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2-[(3,4-Dimethyl-phenylamino)-methylene]-malononitrile
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Imidazo[4,5-c]quinolines as inhibitors of the PI3K/PKB-pathway
関連化学物質
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2-(4-Aminophenyl)-2-methylpropanenitrile
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Synthesis and Protein-Tyrosine Kinase Inhibitory Activities of Flavanoid Analogues
関連化学物質
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4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-(3,4,5-trimethoxyphenyl)-
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Synthesis and estrogen receptor affinity of 2,3-diarylindoles
関連化学物質
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1H-Indol-5-ol, 2,3-diphenyl-
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The design, synthesis, and evaluation of 8 hybrid DFG-out allosteric kinase inhibitors: A structural analysis of the binding interactions of Gleevec , Nexavar, and BIRB-796
関連化学物質
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N-methyl-4-(4-(4-((4-methylpiperazin-1-yl)methyl)-benzamido)phenoxy)picolinamide
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Synthesis and pharmacological properties of pyrazolotriazolopyrimidine derivatives
関連化学物質
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1H-Pyrazole-4-carboxylic acid, 3-[[(phenylamino)thioxomethyl]amino]-, ethyl ester
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Synthesis of imidazothiazole-chalcone derivatives as anticancer and apoptosis inducing agents
関連化学物質
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(E)-3-(6-(4-methoxyphenyl)imidazo[2,1-b]thiazol-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
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Synthesis and antimalarial evaluation of 1, 3, 5-trisubstituted pyrazolines
関連化学物質
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3-(4-ethoxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)propenone
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Synthesis and evaluation of novel phenoxypropanolamine derivatives containing acetanilides as potent and selective β3-adrenergic receptor agonists
関連化学物質
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(S)-4'-(2-{[2-hydroxy-3-(4-methylsulfonamidophenoxy)-propyl]amino}ethyl)-2-(2-pyridyl)acetanilide hydrochloride
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Antimicrobial studies of 2,4-dichloro-5-fluorophenyl containing oxadiazoles
関連化学物質
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C16H10Cl3FN2O2
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Discovery of Substituted 1H-Pyrazolo[3,4-b]pyridine Derivatives as Potent and Selective FGFR Kinase Inhibitors
関連化学物質
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2-methoxy-4-(4-methylpiperazin-1-yl)benzoic acid hydrochloride
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Design, synthesis, and biological evaluation of truncated deguelin derivatives as Hsp90 inhibitors
関連化学物質
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2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)ethan-1-one
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Structure-activity relationship studies on benzofuran analogs of propafenone-type modulators of tumor cell multidrug resistance
関連化学物質
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3-(2-phenylethyl)-N-propyl-β-(2-tetrahydropyranyloxy)-2-benzofuranethanamine
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Anti-tumor activity of
anew series of benzoxazepine derivatives in breast cancer関連化学物質
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methyl (S)-2-(N-(2-(benzyloxy)-4-methoxybenzyl)-4-methylphenylsulfonamido)-3-(4-(benzyloxy)phenyl)propanoate
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Novel pyrrolyl 2-aminopyridines as potent and selective human β-secretase (BACE1) inhibitors
関連化学物質
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2-Pyridinemethanamine,6-amino-(9CI)
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A novel class of nonpeptidic biaryl inhibitors of human cathepsin K
関連化学物質
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1-(4-BROMO-PHENYL)-4-METHYL-PIPERAZINE
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Design, synthesis and evaluation of novel N-phenylbutanamide derivatives as KCNQ openers for the treatment of epilepsy
関連化学物質
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Thieno[2,3-c]pyridine, 4,5,6,7-tetrahydro-2-methyl- (9CI)
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Synthesis and pharmacological evaluation of 5-dialkylaminomethyl-2-amino-2-oxazolines as H1-antagonists
関連化学物質
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1-chloro-3-(4-benzylpiperidin-1-yl)propan-2-ol
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2-(4-Chlorobenzyl)-6-arylimidazo[2,1-b][1,3,4]thiadiazoles: Synthesis, cytotoxic activity and mechanism of action
関連化学物質
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2-(4-chlorobenzyl)-6-(4'-fluorophenyl)-imidazo[2,1-b][1,3,4]thiadiazole
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Synthesis and QSAR of substituted 3-hydroxyanthranilic acid derivatives as inhibitors of 3-hydroxyanthranilic acid dioxygenase (3-HAO)
関連化学物質
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4-bromo-5-ethoxy-3-hydroxybenzoic acid
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Flavones. 3. Synthesis, biological activities, and conformational analysis of isoflavone derivatives and related compounds
関連化学物質
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4H-1-Benzopyran-4-one, 7-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-3-phenyl-2-(phenylmethyl )-, hydrochloride
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Novel synthetic 2-amino-10-(3,5-dimethoxy)benzyl-9(10H)-acridinone derivatives as potent DNA-binding antiproliferative agents
関連化学物質
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N-(10-(3,5-dimethoxybenzyl)-9,10-dihydro-9-oxoacridin-2-yl)-2-aminoacetamide hydrochloride
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Synthesis and pharmacological evaluation of analogues of benzyl quinolone carboxylic acid (BQCA) designed to bind irreversibly to an allosteric site of the M1 muscarinic acetylcholine receptor
関連化学物質
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1-(4-(bromomethyl)phenyl)-1H-pyrrole-2,5-dione
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Synthesis and antihypertensive activity of novel 3-benzyl-2-substituted-3H-[1,2,4]triazolo[5,1-b]quinazolin-9-ones
関連化学物質
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3-amino-2-benzylaminoquinazolin-4(3H)-one
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New antiprotozoal agents: Their synthesis and biological evaluations
関連化学物質
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N-{3-benzyl-2-[4-fluoro-2-(1-hydroxyethyl)phenoxy]quinolin-6-yl}-(3-trifluoromethylphenyl)sulfonamide
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New series of morpholine and 1,4-oxazepane derivatives as dopamine D 4 receptor ligands: Synthesis and 3D-QSAR model
関連化学物質
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Morpholine, 2-(chloromethyl)-4-[(4-chlorophenyl)methyl]-
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Synthesis and evaluation of acyl protein thioesterase 1 (APT1) inhibitors
関連化学物質
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Butanoic acid, 2-[bis[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, methyl ester, (2S)-
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Synthesis and evaluation of novel fluorinated pyrazolo-1,2,3-triazole hybrids as antimycobacterial agents
関連化学物質
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2,6-dimethyl-N-(prop-2-yn-1-yl)aniline
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Design, synthesis, and biological evaluation of novel diarylalkyl amides as TRPV1 antagonists
関連化学物質
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(E)-N-(3-fluoro-4-(methylsulfonamido)benzyl)-3-(4-iodophenyl)acrylamide
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Synthesis and biological activity of peptide derivatives of iodoquinazolinones/nitroimidazoles
関連化学物質
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2-hydroxy-5-(6-iodo-2-methyl-4-oxo-3,4-dihydro-3-quinazolinyl)benzoyltyrosine
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