Compile Data Set for Download or QSAR
Found 2256 with Last Name = 'shin' and Initial = 'm'
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50180655(A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM580((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...)
Affinity DataKi:  0.0350nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataKi:  0.0500nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50478141(CHEMBL403526)
Affinity DataKi:  0.0700nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Japan Energy Corporation

LigandPNGBDBM719((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...)
Affinity DataKi:  0.0880nM ΔG°:  -59.7kJ/molepH: 6.0 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50088504(A-84538 | ABBOTT-84538 | CHEBI:45409 | Norvir | Ri...)
Affinity DataKi:  0.0980nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily V member 1(Rattus norvegicus (rat))
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50052442((4-Hydroxy-3-methoxy-phenyl)-acetic acid (2R,3S,3a...)
Affinity DataKi:  0.130nMAssay Description:In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsacinMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50478138(CHEMBL256934 | SM-309515)
Affinity DataKi:  0.134nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50213021(CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...)
Affinity DataKi:  0.138nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50478135(CHEMBL409007)
Affinity DataKi:  0.138nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50478136(CHEMBL257257)
Affinity DataKi:  0.152nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Japan Energy Corporation

LigandPNGBDBM718((4R)-3-[(2S,3S)-3-[(2-ethyl-3-hydroxyphenyl)formam...)
Affinity DataKi:  0.160nM ΔG°:  -58.2kJ/molepH: 6.0 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50478137(CHEMBL271391)
Affinity DataKi:  0.163nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50478143(CHEMBL269904)
Affinity DataKi:  0.255nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Japan Energy Corporation

LigandPNGBDBM717((4R)-N-[(2-chlorophenyl)methyl]-3-[(2S,3S)-2-hydro...)
Affinity DataKi:  0.290nM ΔG°:  -56.6kJ/molepH: 6.0 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50478144(CHEMBL272025)
Affinity DataKi:  0.310nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50478142(CHEMBL272797)
Affinity DataKi:  0.311nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Japan Energy Corporation

LigandPNGBDBM580((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...)
Affinity DataKi:  0.330nM ΔG°:  -56.3kJ/molepH: 6.0 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50478140(CHEMBL404154)
Affinity DataKi:  0.353nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Affinity DataKi:  0.359nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553757(CHEMBL4746471)
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)
Affinity DataKi:  0.739nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Japan Energy Corporation

LigandPNGBDBM579((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...)
Affinity DataKi:  0.740nM ΔG°:  -54.2kJ/molepH: 6.0 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50478133(CHEMBL272796)
Affinity DataKi:  0.75nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50478134(CHEMBL408620)
Affinity DataKi:  0.804nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50478139(CHEMBL437457)
Affinity DataKi:  0.861nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

US Patent
LigandPNGBDBM403740(6-Chloro-7-((3-(cyclopropylmethyl)-7-methyl-3H-imi...)
Affinity DataKi:  0.900nMAssay Description:The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)
Affinity DataKi:  0.931nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553762(CHEMBL4758608)
Affinity DataKi:  1nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Japan Energy Corporation

LigandPNGBDBM712((4R)-N-tert-butyl-3-[(2S,3S)-3-[2-(2,6-dimethylphe...)
Affinity DataKi:  1.40nM ΔG°:  -52.6kJ/molepH: 6.0 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553763(CHEMBL4785208)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553764(CHEMBL4749423)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553754(CHEMBL4746482)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553761(CHEMBL4756857)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Japan Energy Corporation

LigandPNGBDBM715((4R)-N-tert-butyl-3-[(2S,3S)-3-[(2-ethyl-3-hydroxy...)
Affinity DataKi:  2.24nM ΔG°:  -51.4kJ/molepH: 6.0 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Affinity DataKi:  2.80nMAssay Description:Binding affinity against adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Rattus norvegicus (rat))
Seoul National University

Curated by ChEMBL
LigandPNGBDBM20330(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Affinity DataKi:  3.40nMAssay Description:Antagonist activity for rat TRPV1 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Rattus norvegicus (rat))
Seoul National University

Curated by ChEMBL
LigandPNGBDBM20330(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Affinity DataKi:  3.40nMAssay Description:Antagonist activity towards rat TRPV1 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD-dependent protein deacylase sirtuin-5, mitochondrial(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50255691(CHEMBL4092751)
Affinity DataKi:  3.5nMAssay Description:Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD-dependent protein deacylase sirtuin-5, mitochondrial(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50255730(CHEMBL4065067)
Affinity DataKi:  3.5nMAssay Description:Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD-dependent protein deacylase sirtuin-5, mitochondrial(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50255693(CHEMBL4073655)
Affinity DataKi:  3.5nMAssay Description:Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD-dependent protein deacylase sirtuin-5, mitochondrial(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50255692(CHEMBL4100475)
Affinity DataKi:  3.5nMAssay Description:Antagonist activity at human TLR4 expressed in mouse RAW blue cells assessed as inhibition of LPS-induced NF-kappaB activation-mediated SEAP producti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNAD-dependent protein deacylase sirtuin-5, mitochondrial(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50255690(CHEMBL4068735)
Affinity DataKi:  3.5nMAssay Description:Inhibition of SIRT5 (unknown origin) using GGQSLK[succ]FGKG as substrate after 30 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553753(CHEMBL4799496)
Affinity DataKi:  4nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553760(CHEMBL4757188)
Affinity DataKi:  4nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

US Patent
LigandPNGBDBM400239(7-((1-(2-Cyclopropylethyl)-5-fluoro-1H-benzo[d]imi...)
Affinity DataKi:  4.10nMAssay Description:The GABAAα5/β3/γ2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA α5/ ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Japan Energy Corporation

LigandPNGBDBM714((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydro...)
Affinity DataKi:  5.14nM ΔG°:  -49.2kJ/molepH: 6.0 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50453223(CHEMBL2113507)
Affinity DataKi:  5.40nMAssay Description:Binding affinity against adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Rattus norvegicus (rat))
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50196343(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Affinity DataKi:  6.35nMAssay Description:In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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