Compile Data Set for Download or QSAR
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Found 96 with Last Name = 'zhou' and Initial = 'bb'
TargetCyclin-A2/Cyclin-dependent kinase 1(Homo sapiens (Human))
Glaxosmithkline

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataKi:  1nM ΔG°:  -50.9kJ/molepH: 7.4 T: 2°CAssay Description:In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Glaxosmithkline

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataKi:  2.90nM ΔG°:  -48.2kJ/molepH: 7.4 T: 2°CAssay Description:In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Glaxosmithkline

LigandPNGBDBM17054((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...)
Affinity DataKi:  5.60nM ΔG°:  -49.0kJ/molepH: 7.4 T: 2°CAssay Description:In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Glaxosmithkline

LigandPNGBDBM17140((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...)
Affinity DataKi:  5.60nM ΔG°:  -46.6kJ/molepH: 7.4 T: 2°CAssay Description:In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Glaxosmithkline

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataKi:  7.80nM ΔG°:  -48.1kJ/molepH: 7.4 T: 2°CAssay Description:In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Glaxosmithkline

LigandPNGBDBM17140((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...)
Affinity DataKi:  15nM ΔG°:  -46.5kJ/molepH: 7.4 T: 2°CAssay Description:In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Glaxosmithkline

LigandPNGBDBM17140((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...)
Affinity DataKi:  16nM ΔG°:  -45.2kJ/molepH: 7.5 T: 2°CAssay Description:CDK4 and cyclin D1 were expressed in a baculovirus expression system and subsequently purified. The catalytic activity of the CDK4 protein was assaye...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-A2/Cyclin-dependent kinase 1(Homo sapiens (Human))
Glaxosmithkline

LigandPNGBDBM17140((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...)
Affinity DataKi:  23nM ΔG°:  -43.2kJ/molepH: 7.4 T: 2°CAssay Description:In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Glaxosmithkline

LigandPNGBDBM17054((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...)
Affinity DataKi:  30nM ΔG°:  -42.5kJ/molepH: 7.4 T: 2°CAssay Description:In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Glaxosmithkline

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Affinity DataKi:  41nM ΔG°:  -42.9kJ/molepH: 7.5 T: 2°CAssay Description:CDK4 and cyclin D1 were expressed in a baculovirus expression system and subsequently purified. The catalytic activity of the CDK4 protein was assaye...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-A2/Cyclin-dependent kinase 1(Homo sapiens (Human))
Glaxosmithkline

LigandPNGBDBM17054((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...)
Affinity DataKi:  95nM ΔG°:  -39.7kJ/molepH: 7.4 T: 2°CAssay Description:In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Glaxosmithkline

LigandPNGBDBM17054((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...)
Affinity DataKi:  3.60E+3nM ΔG°:  -31.6kJ/molepH: 7.5 T: 2°CAssay Description:CDK4 and cyclin D1 were expressed in a baculovirus expression system and subsequently purified. The catalytic activity of the CDK4 protein was assaye...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203526((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)
Affinity DataIC50:  5nMAssay Description:Inhibition of MMP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203538((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...)
Affinity DataIC50:  13nMAssay Description:Inhibition of MMP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203538((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...)
Affinity DataIC50:  13nMAssay Description:Inhibition of Her2 sheddase activity in BT474 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203526((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)
Affinity DataIC50:  18nMAssay Description:Inhibition of Her2 sheddase activity in BT474 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50203538((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...)
Affinity DataIC50:  23nMAssay Description:Inhibition of ADAM10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50203526((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)
Affinity DataIC50:  33nMAssay Description:Inhibition of ADAM10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203527((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Affinity DataIC50:  39nMAssay Description:Inhibition of MMP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203529((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Affinity DataIC50:  52nMAssay Description:Inhibition of Her2 sheddase activity in BT474 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50203527((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Affinity DataIC50:  59nMAssay Description:Inhibition of ADAM10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203528((6S,7S)-N-hydroxy-5-methyl-6-[(4-phenyl-3,6-dihydr...)
Affinity DataIC50:  64nMAssay Description:Inhibition of MMP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203527((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Affinity DataIC50:  68nMAssay Description:Inhibition of Her2 sheddase activity in BT474 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203538((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...)
Affinity DataIC50:  77nMAssay Description:Inhibition of MMP9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50203528((6S,7S)-N-hydroxy-5-methyl-6-[(4-phenyl-3,6-dihydr...)
Affinity DataIC50:  77nMAssay Description:Inhibition of ADAM10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203533((6S,7S)-N-hydroxy-6-((R)-3-phenylpyrrolidine-1-car...)
Affinity DataIC50:  92nMAssay Description:Inhibition of Her2 sheddase activity in BT474 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50203533((6S,7S)-N-hydroxy-6-((R)-3-phenylpyrrolidine-1-car...)
Affinity DataIC50:  97nMAssay Description:Inhibition of ADAM10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50203530((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)pi...)
Affinity DataIC50:  110nMAssay Description:Inhibition of ADAM10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203526((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)
Affinity DataIC50:  113nMAssay Description:Inhibition of MMP9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50203529((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Affinity DataIC50:  120nMAssay Description:Inhibition of ADAM10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50203531((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)-3...)
Affinity DataIC50:  130nMAssay Description:Inhibition of ADAM10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203537((6S,7S)-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-s...)
Affinity DataIC50:  140nMAssay Description:Inhibition of Her2 sheddase activity in BT474 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203534((6S,7S)-N-hydroxy-5-methyl-6-(4-phenylpiperazine-1...)
Affinity DataIC50:  150nMAssay Description:Inhibition of MMP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203530((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)pi...)
Affinity DataIC50:  160nMAssay Description:Inhibition of Her2 sheddase activity in BT474 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203528((6S,7S)-N-hydroxy-5-methyl-6-[(4-phenyl-3,6-dihydr...)
Affinity DataIC50:  160nMAssay Description:Inhibition of Her2 sheddase activity in BT474 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203529((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Affinity DataIC50:  200nMAssay Description:Inhibition of MMP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203534((6S,7S)-N-hydroxy-5-methyl-6-(4-phenylpiperazine-1...)
Affinity DataIC50:  230nMAssay Description:Inhibition of Her2 sheddase activity in BT474 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203535((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...)
Affinity DataIC50:  280nMAssay Description:Inhibition of Her2 sheddase activity in BT474 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203531((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)-3...)
Affinity DataIC50:  300nMAssay Description:Inhibition of Her2 sheddase activity in BT474 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50203534((6S,7S)-N-hydroxy-5-methyl-6-(4-phenylpiperazine-1...)
Affinity DataIC50:  310nMAssay Description:Inhibition of ADAM10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50203537((6S,7S)-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-s...)
Affinity DataIC50:  320nMAssay Description:Inhibition of ADAM10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50203535((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...)
Affinity DataIC50:  330nMAssay Description:Inhibition of ADAM10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203535((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...)
Affinity DataIC50:  350nMAssay Description:Inhibition of MMP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203527((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Affinity DataIC50:  428nMAssay Description:Inhibition of MMP9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203537((6S,7S)-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-s...)
Affinity DataIC50:  450nMAssay Description:Inhibition of MMP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203538((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...)
Affinity DataIC50:  450nMAssay Description:Inhibition of MMP3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50203536((2S,3S)-N-hydroxy-2-((R)-3-phenylpyrrolidine-1-car...)
Affinity DataIC50:  480nMAssay Description:Inhibition of ADAM10More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203536((2S,3S)-N-hydroxy-2-((R)-3-phenylpyrrolidine-1-car...)
Affinity DataIC50:  560nMAssay Description:Inhibition of Her2 sheddase activity in BT474 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50203529((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Affinity DataIC50:  650nMAssay Description:Inhibition of MMP9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Incyte

Curated by ChEMBL
LigandPNGBDBM50082539(1-(4-Methoxy-benzenesulfonyl)-piperidine-2-carboxy...)
Affinity DataIC50:  670nMAssay Description:Inhibition of Her2 sheddase activity in BT474 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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