Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'zhou' and Initial = 'bb'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	-50.9	n/a	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay 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/ ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.90	-48.2	n/a	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay 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/ ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM17054 ((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...) Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.60	-49.0	n/a	n/a	n/a	n/a	n/a	7.4	37
GlaxoSmithKline					Assay 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. ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM17140 ((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13 |r| Show InChI InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.60	-46.6	n/a	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay 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/ ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	7.80	-48.1	n/a	n/a	n/a	n/a	n/a	7.4	37
GlaxoSmithKline					Assay 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. ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM17140 ((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13 |r| Show InChI InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	15	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	37
GlaxoSmithKline					Assay 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. ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM17140 ((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13 |r| Show InChI InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	16	-45.2	n/a	n/a	n/a	n/a	n/a	7.5	30
GlaxoSmithKline					Assay Description CDK4 and cyclin D1 were expressed in a baculovirus expression system and subsequently purified. The catalytic activity of the CDK4 protein was assaye...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM17140 ((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...) Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13 |r| Show InChI InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	23	-43.2	n/a	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay 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/ ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM17054 ((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...) Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	30	-42.5	n/a	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay 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/ ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	41	-42.9	n/a	n/a	n/a	n/a	n/a	7.5	30
GlaxoSmithKline					Assay Description CDK4 and cyclin D1 were expressed in a baculovirus expression system and subsequently purified. The catalytic activity of the CDK4 protein was assaye...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM17054 ((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...) Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	95	-39.7	n/a	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay 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/ ...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM17054 ((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...) Show SMILES [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.60E+3	-31.6	n/a	n/a	n/a	n/a	n/a	7.5	30
GlaxoSmithKline					Assay Description CDK4 and cyclin D1 were expressed in a baculovirus expression system and subsequently purified. The catalytic activity of the CDK4 protein was assaye...				J Biol Chem 277: 46609-15 (2002) Article DOI: 10.1074/jbc.M201233200 BindingDB Entry DOI: 10.7270/Q2D798PF
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203526 ((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |c:19| Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203538 ((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1 |c:18| Show InChI InChI=1S/C19H23N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50203538 ((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1 |c:18| Show InChI InChI=1S/C19H23N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50203526 ((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |c:19| Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50203538 ((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1 |c:18| Show InChI InChI=1S/C19H23N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM10				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50203526 ((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |c:19| Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM10				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203527 ((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...) Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19| Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50203529 ((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50203527 ((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...) Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19| Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM10				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203528 ((6S,7S)-N-hydroxy-5-methyl-6-[(4-phenyl-3,6-dihydr...) Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |c:16| Show InChI InChI=1S/C21H27N3O3/c1-23-14-21(9-10-21)13-17(19(25)22-27)18(23)20(26)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,27H,8-14H2,1H3,(H,22,25)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50203527 ((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...) Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19| Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50203538 ((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1 |c:18| Show InChI InChI=1S/C19H23N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP9				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50203528 ((6S,7S)-N-hydroxy-5-methyl-6-[(4-phenyl-3,6-dihydr...) Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |c:16| Show InChI InChI=1S/C21H27N3O3/c1-23-14-21(9-10-21)13-17(19(25)22-27)18(23)20(26)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,27H,8-14H2,1H3,(H,22,25)/t17-,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM10				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50203533 ((6S,7S)-N-hydroxy-6-((R)-3-phenylpyrrolidine-1-car...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1 Show InChI InChI=1S/C19H25N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-5,14-16,20,25H,6-12H2,(H,21,23)/t14-,15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50203533 ((6S,7S)-N-hydroxy-6-((R)-3-phenylpyrrolidine-1-car...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1 Show InChI InChI=1S/C19H25N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-5,14-16,20,25H,6-12H2,(H,21,23)/t14-,15-,16-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM10				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50203530 ((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)pi...) Show SMILES Cc1cc(ccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O Show InChI InChI=1S/C20H27N5O5/c1-13-10-14(25(29)30)2-3-16(13)23-6-8-24(9-7-23)19(27)17-15(18(26)22-28)11-20(4-5-20)12-21-17/h2-3,10,15,17,21,28H,4-9,11-12H2,1H3,(H,22,26)/t15-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM10				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50203526 ((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |c:19| Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP9				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50203529 ((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM10				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50203531 ((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)-3...) Show SMILES Cc1cc(ccc1C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O |t:8| Show InChI InChI=1S/C21H26N4O5/c1-13-10-15(25(29)30)2-3-16(13)14-4-8-24(9-5-14)20(27)18-17(19(26)23-28)11-21(6-7-21)12-22-18/h2-4,10,17-18,22,28H,5-9,11-12H2,1H3,(H,23,26)/t17-,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM10				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50203537 ((6S,7S)-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-s...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C20H27N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-5,15-17,21,26H,6-13H2,(H,22,24)/t16-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203534 ((6S,7S)-N-hydroxy-5-methyl-6-(4-phenylpiperazine-1...) Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C20H28N4O3/c1-22-14-20(7-8-20)13-16(18(25)21-27)17(22)19(26)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-6,16-17,27H,7-14H2,1H3,(H,21,25)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50203530 ((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)pi...) Show SMILES Cc1cc(ccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O Show InChI InChI=1S/C20H27N5O5/c1-13-10-14(25(29)30)2-3-16(13)23-6-8-24(9-7-23)19(27)17-15(18(26)22-28)11-20(4-5-20)12-21-17/h2-3,10,15,17,21,28H,4-9,11-12H2,1H3,(H,22,26)/t15-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50203528 ((6S,7S)-N-hydroxy-5-methyl-6-[(4-phenyl-3,6-dihydr...) Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |c:16| Show InChI InChI=1S/C21H27N3O3/c1-23-14-21(9-10-21)13-17(19(25)22-27)18(23)20(26)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,27H,8-14H2,1H3,(H,22,25)/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203529 ((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50203534 ((6S,7S)-N-hydroxy-5-methyl-6-(4-phenylpiperazine-1...) Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C20H28N4O3/c1-22-14-20(7-8-20)13-16(18(25)21-27)17(22)19(26)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-6,16-17,27H,7-14H2,1H3,(H,21,25)/t16-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50203535 ((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2C(Cc3ccccc23)C1 Show InChI InChI=1S/C20H26N4O3/c25-18(22-27)15-10-20(5-6-20)12-21-17(15)19(26)23-7-8-24-14(11-23)9-13-3-1-2-4-16(13)24/h1-4,14-15,17,21,27H,5-12H2,(H,22,25)/t14?,15-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50203531 ((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)-3...) Show SMILES Cc1cc(ccc1C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O |t:8| Show InChI InChI=1S/C21H26N4O5/c1-13-10-15(25(29)30)2-3-16(13)14-4-8-24(9-5-14)20(27)18-17(19(26)23-28)11-21(6-7-21)12-22-18/h2-4,10,17-18,22,28H,5-9,11-12H2,1H3,(H,23,26)/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50203534 ((6S,7S)-N-hydroxy-5-methyl-6-(4-phenylpiperazine-1...) Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C20H28N4O3/c1-22-14-20(7-8-20)13-16(18(25)21-27)17(22)19(26)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-6,16-17,27H,7-14H2,1H3,(H,21,25)/t16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM10				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50203537 ((6S,7S)-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-s...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C20H27N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-5,15-17,21,26H,6-13H2,(H,22,24)/t16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM10				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50203535 ((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2C(Cc3ccccc23)C1 Show InChI InChI=1S/C20H26N4O3/c25-18(22-27)15-10-20(5-6-20)12-21-17(15)19(26)23-7-8-24-14(11-23)9-13-3-1-2-4-16(13)24/h1-4,14-15,17,21,27H,5-12H2,(H,22,25)/t14?,15-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM10				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203535 ((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2C(Cc3ccccc23)C1 Show InChI InChI=1S/C20H26N4O3/c25-18(22-27)15-10-20(5-6-20)12-21-17(15)19(26)23-7-8-24-14(11-23)9-13-3-1-2-4-16(13)24/h1-4,14-15,17,21,27H,5-12H2,(H,22,25)/t14?,15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50203527 ((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...) Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19| Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	428	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP9				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203537 ((6S,7S)-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-s...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C20H27N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-5,15-17,21,26H,6-13H2,(H,22,24)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP2				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50203538 ((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1 |c:18| Show InChI InChI=1S/C19H23N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP3				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50203536 ((2S,3S)-N-hydroxy-2-((R)-3-phenylpyrrolidine-1-car...) Show SMILES ONC(=O)[C@H]1CCCN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1 Show InChI InChI=1S/C17H23N3O3/c21-16(19-23)14-7-4-9-18-15(14)17(22)20-10-8-13(11-20)12-5-2-1-3-6-12/h1-3,5-6,13-15,18,23H,4,7-11H2,(H,19,21)/t13-,14-,15-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM10				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50203536 ((2S,3S)-N-hydroxy-2-((R)-3-phenylpyrrolidine-1-car...) Show SMILES ONC(=O)[C@H]1CCCN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1 Show InChI InChI=1S/C17H23N3O3/c21-16(19-23)14-7-4-9-18-15(14)17(22)20-10-8-13(11-20)12-5-2-1-3-6-12/h1-3,5-6,13-15,18,23H,4,7-11H2,(H,19,21)/t13-,14-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50203529 ((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...) Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP9				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50082539 (1-(4-Methoxy-benzenesulfonyl)-piperidine-2-carboxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NO Show InChI InChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of Her2 sheddase activity in BT474 cell line				J Med Chem 50: 603-6 (2007) Article DOI: 10.1021/jm061344o BindingDB Entry DOI: 10.7270/Q2JQ10P5
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 96 total )  |  Next  |  Last  >>

Jump to: