Compile Data Set for Download or QSAR
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Found 640 with Last Name = 'shu' and Initial = 'c'
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156147(1-(2,3-Dimethyl-butyrylamino)-3,4-dihydroxy-5-(2-h...)
Affinity DataKi:  0.0500nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
Affinity DataKi:  0.0800nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156140(1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...)
Affinity DataKi:  0.0900nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM519((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Affinity DataKi:  0.230nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Affinity DataKi:  0.230nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM13934(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Affinity DataKi:  0.240nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156143(1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...)
Affinity DataKi:  0.300nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156141(5-(4-Bromo-phenoxy)-1,6-bis-(2,3-dimethyl-butyryla...)
Affinity DataKi:  0.300nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)
Affinity DataKi:  0.310nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156146((1R,2S,3R,4R)-1,4-bis({[(2S)-2,3-dimethylbutanoyl]...)
Affinity DataKi:  0.400nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50366785(NELFINAVIR)
Affinity DataKi:  0.540nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156152(1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...)
Affinity DataKi:  0.550nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM520(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)
Affinity DataKi:  0.590nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156138(2,3-Dihydroxy-1,4-bis-(2-hydroxy-indan-1-ylcarbamo...)
Affinity DataKi:  0.600nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156154(1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...)
Affinity DataKi:  0.610nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156155(1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...)
Affinity DataKi:  0.800nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156142(1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...)
Affinity DataKi:  1.20nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156148(3,5-Dihydroxy-2-phenoxy-hexanedioic acid bis-[(2-h...)
Affinity DataKi:  1.40nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156153(1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...)
Affinity DataKi:  1.40nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM346((3R,4S,5S,6R)-4,5-dihydroxy-2,7-bis({[4-(hydroxyme...)
Affinity DataKi:  3.10nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156145(2,7-Bis-[3-(1-hydroxyamino-ethyl)-benzyl]-1,1-diox...)
Affinity DataKi:  5.60nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50029770(4-amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonam...)
Affinity DataKi:  10.1nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50121501(CHEMBL345603 | {1-[1-Benzyl-3-(2-tert-butylcarbamo...)
Affinity DataKi:  37nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156149((1R,2R,3S,4R)-1,4-bis({[(2S)-2,3-dimethylbutanoyl]...)
Affinity DataKi:  40nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50121510(CHEMBL150908 | N*1*-[1-Benzyl-3-(2-tert-butylcarba...)
Affinity DataKi:  55nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156150(1,6-Bis-(2,3-dimethyl-butyrylamino)-5-ethoxy-3,4-d...)
Affinity DataKi:  2.40E+3nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50156139(3,4-Dihydroxy-1,6-bis-[3-(4-hydroxy-phenyl)-2-meth...)
Affinity DataKi:  5.00E+3nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50155301(CHEMBL3781659)
Affinity DataKi:  8.13E+3nMAssay Description:Noncompetitive inhibition of diphenolase activity of mushroom tyrosinase preincubated for 10 mins followed by addition of L-DOPA measured for 5 mins ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKinesin-like protein KIF11(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50181139((S)-2-amino-2-cyclopropyl-1-((S)-4-(2,5-difluoroph...)
Affinity DataIC50:  0.5nMAssay Description:Inhibition of KSP by ATPase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Xuanzhu Pharma

US Patent
LigandPNGBDBM236561(US9365572, 30)
Affinity DataIC50:  1.12nMpH: 7.5 T: 2°CAssay Description:Agents: 1-fold kinase buffer: 50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl2, 0.01% Tween-20, 2 mM DTT. 4-fold kinase solution: mTOR kinase ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetKinesin-like protein KIF11(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50181138((S)-2-amino-1-((S)-4-(2,5-difluorophenyl)-2-(3-hyd...)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of KSP by ATPase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKinesin-like protein KIF11(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50181137((S)-1-((S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphen...)
Affinity DataIC50:  1.30nMAssay Description:Inhibition of KSP by ATPase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50110183(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of recombinant N-terminal GST/His6-fusion tagged human CDK4/Cyclin D3 expressed in Sf9 insect cells using 5-FAM-IPTSPITTTYFFFKKK as substr...More data for this Ligand-Target Pair
TargetA disintegrin and metalloproteinase with thrombospondin motifs 5(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM24060((2S)-2-amino-2-cyclopropyl-1-[(2S)-4-(2,5-difluoro...)
Affinity DataIC50:  2nMpH: 7.0 T: 2°CAssay Description:The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Xuanzhu Pharma

US Patent
LigandPNGBDBM236557(US9365572, 5)
Affinity DataIC50:  2.5nMpH: 7.5 T: 2°CAssay Description:Agents: 1-fold kinase buffer: 50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl2, 0.01% Tween-20, 2 mM DTT. 4-fold kinase solution: mTOR kinase ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetA disintegrin and metalloproteinase with thrombospondin motifs 5(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM24054((2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(p...)
Affinity DataIC50:  2.60nMpH: 7.0 T: 2°CAssay Description:The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Xuanzhu Pharma

US Patent
LigandPNGBDBM236560(US9365572, 20)
Affinity DataIC50:  2.66nMpH: 7.5 T: 2°CAssay Description:Agents: 1-fold kinase buffer: 50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl2, 0.01% Tween-20, 2 mM DTT. 4-fold kinase solution: mTOR kinase ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetA disintegrin and metalloproteinase with thrombospondin motifs 5(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM24061((2S)-2-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phen...)
Affinity DataIC50:  2.70nMpH: 7.0 T: 2°CAssay Description:The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKinesin-like protein KIF11(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50181141((S)-2-cyclopropyl-1-((S)-4-(2,5-difluorophenyl)-2-...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of KSP by ATPase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Astrazeneca

LigandPNGBDBM7667(4-[(4-{6-bromoimidazo[1,2-a]pyridin-3-yl}pyrimidin...)
Affinity DataIC50: <3nMpH: 7.0 T: 2°CAssay Description:The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Astrazeneca

LigandPNGBDBM7668(4-[(4-{6-cyanoimidazo[1,2-a]pyridin-3-yl}pyrimidin...)
Affinity DataIC50: <3nMpH: 7.0 T: 2°CAssay Description:The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Astrazeneca

LigandPNGBDBM7669(4-({4-[6-(ethylsulfanyl)imidazo[1,2-a]pyridin-3-yl...)
Affinity DataIC50: <3nMpH: 7.0 T: 2°CAssay Description:The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Astrazeneca

LigandPNGBDBM7671(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Affinity DataIC50: <3nMpH: 7.0 T: 2°CAssay Description:The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Astrazeneca

LigandPNGBDBM7672(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Affinity DataIC50: <3nMpH: 7.0 T: 2°CAssay Description:The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Astrazeneca

LigandPNGBDBM7673(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Affinity DataIC50: <3nMpH: 7.0 T: 2°CAssay Description:The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Astrazeneca

LigandPNGBDBM7647(4-[(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidi...)
Affinity DataIC50: <3nMpH: 7.0 T: 2°CAssay Description:The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Astrazeneca

LigandPNGBDBM7679(Imidazo[1,2-b]pyridazine deriv. 4b | N-(2-methoxye...)
Affinity DataIC50:  3nMpH: 7.0 T: 2°CAssay Description:The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Astrazeneca

LigandPNGBDBM7675(Imidazo[1,2-b]pyridazine deriv. 2e | N-[3-(dimethy...)
Affinity DataIC50: <3nMpH: 7.0 T: 2°CAssay Description:The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50605443(CHEMBL5171286)
Affinity DataIC50:  3.20nMAssay Description:Inhibition of SHP2 (unknown origin) using DiFMUP as substrate incubated for 60 mins followed by substrate addition for 30 mins by microplate reader m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetA disintegrin and metalloproteinase with thrombospondin motifs 5(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM24058((2S)-2-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phen...)
Affinity DataIC50:  3.60nMpH: 7.0 T: 2°CAssay Description:The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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