Compile Data Set for Download or QSAR

Found 119 hits Enz. Inhib. hit(s) with all data for entry = 50038969   

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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301109 ((5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperazine...) Show SMILES ONC(=O)[C@H]1C[C@@H](CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C22H31N5O5/c28-20(24-31)18-14-17(32-22(30)27-8-4-5-9-27)15-23-19(18)21(29)26-12-10-25(11-13-26)16-6-2-1-3-7-16/h1-3,6-7,17-19,23,31H,4-5,8-15H2,(H,24,28)/t17-,18-,19-/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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301116 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CC=CC1 |r,c:33| Show InChI InChI=1S/C23H31N5O5/c1-25-16-18(33-23(31)28-9-5-6-10-28)15-19(21(29)24-32)20(25)22(30)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-8,18-20,32H,9-16H2,1H3,(H,24,29)/t18-,19-,20-/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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301103 ((2S,3S)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)ethy...) Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |r,c:25| Show InChI InChI=1S/C24H32N4O4/c29-21(27-10-4-5-11-27)15-17-14-20(23(30)26-32)22(25-16-17)24(31)28-12-8-19(9-13-28)18-6-2-1-3-7-18/h1-3,6-8,17,20,22,25,32H,4-5,9-16H2,(H,26,30)/t17?,20-,22-/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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301119 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCCCC1 |r| Show InChI InChI=1S/C25H37N5O5/c1-27-18-20(35-25(33)30-11-7-2-3-8-12-30)17-21(23(31)26-34)22(27)24(32)29-15-13-28(14-16-29)19-9-5-4-6-10-19/h4-6,9-10,20-22,34H,2-3,7-8,11-18H2,1H3,(H,26,31)/t20-,21-,22-/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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301101 ((2S,3S)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)ethy...) Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C23H32N4O4/c28-20(26-9-4-5-10-26)13-16-12-19(22(29)25-31)21(24-14-16)23(30)27-11-8-18(15-27)17-6-2-1-3-7-17/h1-3,6-7,16,18-19,21,24,31H,4-5,8-15H2,(H,25,29)/t16?,18-,19-,21-/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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301104 ((5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-1,2,3,6-t...) Show SMILES ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1)OC(=O)N1CCCC1 |r,c:16| Show InChI InChI=1S/C23H30N4O5/c28-21(25-31)19-14-18(32-23(30)27-10-4-5-11-27)15-24-20(19)22(29)26-12-8-17(9-13-26)16-6-2-1-3-7-16/h1-3,6-8,18-20,24,31H,4-5,9-15H2,(H,25,28)/t18?,19-,20-/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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301118 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCCC1 |r| Show InChI InChI=1S/C24H35N5O5/c1-26-17-19(34-24(32)29-10-6-3-7-11-29)16-20(22(30)25-33)21(26)23(31)28-14-12-27(13-15-28)18-8-4-2-5-9-18/h2,4-5,8-9,19-21,33H,3,6-7,10-17H2,1H3,(H,25,30)/t19-,20-,21-/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	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301114 ((2S,3S,5S)-methyl 3-(hydroxycarbamoyl)-2-(4-phenyl...) Show SMILES COC(=O)N1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C24H33N5O7/c1-35-24(33)29-16-18(36-23(32)28-9-5-6-10-28)15-19(21(30)25-34)20(29)22(31)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-4,7-8,18-20,34H,5-6,9-16H2,1H3,(H,25,30)/t18-,19-,20-/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	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301107 (CHEMBL572301 | isopropyl-(5S,6S)-5-(hydroxycarbamo...) Show SMILES CC(C)OC(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1 |r,c:24| Show InChI InChI=1S/C23H32N4O5/c1-15(2)32-23(30)26(3)18-13-19(21(28)25-31)20(24-14-18)22(29)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301104 ((5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-1,2,3,6-t...) Show SMILES ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1)OC(=O)N1CCCC1 |r,c:16| Show InChI InChI=1S/C23H30N4O5/c28-21(25-31)19-14-18(32-23(30)27-10-4-5-11-27)15-24-20(19)22(29)26-12-8-17(9-13-26)16-6-2-1-3-7-16/h1-3,6-8,18-20,24,31H,4-5,9-15H2,(H,25,28)/t18?,19-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301118 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCCC1 |r| Show InChI InChI=1S/C24H35N5O5/c1-26-17-19(34-24(32)29-10-6-3-7-11-29)16-20(22(30)25-33)21(26)23(31)28-14-12-27(13-15-28)18-8-4-2-5-9-18/h2,4-5,8-9,19-21,33H,3,6-7,10-17H2,1H3,(H,25,30)/t19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301106 ((2S,3S)-N-hydroxy-5-(N-methylbenzamido)-2-(4-pheny...) Show SMILES CN(C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1)C(=O)c1ccccc1 |r,c:18| Show InChI InChI=1S/C26H30N4O4/c1-29(25(32)20-10-6-3-7-11-20)21-16-22(24(31)28-34)23(27-17-21)26(33)30-14-12-19(13-15-30)18-8-4-2-5-9-18/h2-12,21-23,27,34H,13-17H2,1H3,(H,28,31)/t21?,22-,23-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301110 ((5S,6S)-5-(hydroxycarbamoyl)-6-(3-phenyl-2,5-dihyd...) Show SMILES ONC(=O)[C@H]1C[C@@H](CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1)OC(=O)N1CCCC1 |r,c:15| Show InChI InChI=1S/C22H28N4O5/c27-20(24-30)18-12-17(31-22(29)25-9-4-5-10-25)13-23-19(18)21(28)26-11-8-16(14-26)15-6-2-1-3-7-15/h1-3,6-8,17-19,23,30H,4-5,9-14H2,(H,24,27)/t17-,18-,19-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50301105 ((2S,3S)-N-hydroxy-5-(N-methylisobutyramido)-2-(4-p...) Show SMILES CC(C)C(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1 |r,c:23| Show InChI InChI=1S/C23H32N4O4/c1-15(2)22(29)26(3)18-13-19(21(28)25-31)20(24-14-18)23(30)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301107 (CHEMBL572301 | isopropyl-(5S,6S)-5-(hydroxycarbamo...) Show SMILES CC(C)OC(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1 |r,c:24| Show InChI InChI=1S/C23H32N4O5/c1-15(2)32-23(30)26(3)18-13-19(21(28)25-31)20(24-14-18)22(29)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301109 ((5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperazine...) Show SMILES ONC(=O)[C@H]1C[C@@H](CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C22H31N5O5/c28-20(24-31)18-14-17(32-22(30)27-8-4-5-9-27)15-23-19(18)21(29)26-12-10-25(11-13-26)16-6-2-1-3-7-16/h1-3,6-7,17-19,23,31H,4-5,8-15H2,(H,24,28)/t17-,18-,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301113 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H33N5O5/c1-25-16-18(33-23(31)28-9-5-6-10-28)15-19(21(29)24-32)20(25)22(30)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-4,7-8,18-20,32H,5-6,9-16H2,1H3,(H,24,29)/t18-,19-,20-/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	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50301106 ((2S,3S)-N-hydroxy-5-(N-methylbenzamido)-2-(4-pheny...) Show SMILES CN(C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1)C(=O)c1ccccc1 |r,c:18| Show InChI InChI=1S/C26H30N4O4/c1-29(25(32)20-10-6-3-7-11-20)21-16-22(24(31)28-34)23(27-17-21)26(33)30-14-12-19(13-15-30)18-8-4-2-5-9-18/h2-12,21-23,27,34H,13-17H2,1H3,(H,28,31)/t21?,22-,23-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301106 ((2S,3S)-N-hydroxy-5-(N-methylbenzamido)-2-(4-pheny...) Show SMILES CN(C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1)C(=O)c1ccccc1 |r,c:18| Show InChI InChI=1S/C26H30N4O4/c1-29(25(32)20-10-6-3-7-11-20)21-16-22(24(31)28-34)23(27-17-21)26(33)30-14-12-19(13-15-30)18-8-4-2-5-9-18/h2-12,21-23,27,34H,13-17H2,1H3,(H,28,31)/t21?,22-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301101 ((2S,3S)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)ethy...) Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C23H32N4O4/c28-20(26-9-4-5-10-26)13-16-12-19(22(29)25-31)21(24-14-16)23(30)27-11-8-18(15-27)17-6-2-1-3-7-17/h1-3,6-7,16,18-19,21,24,31H,4-5,8-15H2,(H,25,29)/t16?,18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301105 ((2S,3S)-N-hydroxy-5-(N-methylisobutyramido)-2-(4-p...) Show SMILES CC(C)C(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1 |r,c:23| Show InChI InChI=1S/C23H32N4O4/c1-15(2)22(29)26(3)18-13-19(21(28)25-31)20(24-14-18)23(30)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/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	15.5	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301103 ((2S,3S)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)ethy...) Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |r,c:25| Show InChI InChI=1S/C24H32N4O4/c29-21(27-10-4-5-11-27)15-17-14-20(23(30)26-32)22(25-16-17)24(31)28-12-8-19(9-13-28)18-6-2-1-3-7-18/h1-3,6-8,17,20,22,25,32H,4-5,9-16H2,(H,26,30)/t17?,20-,22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301113 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H33N5O5/c1-25-16-18(33-23(31)28-9-5-6-10-28)15-19(21(29)24-32)20(25)22(30)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-4,7-8,18-20,32H,5-6,9-16H2,1H3,(H,24,29)/t18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD 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 ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					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 HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301114 ((2S,3S,5S)-methyl 3-(hydroxycarbamoyl)-2-(4-phenyl...) Show SMILES COC(=O)N1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C24H33N5O7/c1-35-24(33)29-16-18(36-23(32)28-9-5-6-10-28)15-19(21(30)25-34)20(29)22(31)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-4,7-8,18-20,34H,5-6,9-16H2,1H3,(H,25,30)/t18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301102 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCC1 |r| Show InChI InChI=1S/C22H31N5O5/c1-24-15-17(32-22(30)27-8-5-9-27)14-18(20(28)23-31)19(24)21(29)26-12-10-25(11-13-26)16-6-3-2-4-7-16/h2-4,6-7,17-19,31H,5,8-15H2,1H3,(H,23,28)/t17-,18-,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301105 ((2S,3S)-N-hydroxy-5-(N-methylisobutyramido)-2-(4-p...) Show SMILES CC(C)C(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(=CC1)c1ccccc1 |r,c:23| Show InChI InChI=1S/C23H32N4O4/c1-15(2)22(29)26(3)18-13-19(21(28)25-31)20(24-14-18)23(30)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/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 ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301120 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCCCCC1 |r| Show InChI InChI=1S/C26H39N5O5/c1-28-19-21(36-26(34)31-12-8-3-2-4-9-13-31)18-22(24(32)27-35)23(28)25(33)30-16-14-29(15-17-30)20-10-6-5-7-11-20/h5-7,10-11,21-23,35H,2-4,8-9,12-19H2,1H3,(H,27,32)/t21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301120 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCCCCC1 |r| Show InChI InChI=1S/C26H39N5O5/c1-28-19-21(36-26(34)31-12-8-3-2-4-9-13-31)18-22(24(32)27-35)23(28)25(33)30-16-14-29(15-17-30)20-10-6-5-7-11-20/h5-7,10-11,21-23,35H,2-4,8-9,12-19H2,1H3,(H,27,32)/t21-,22-,23-/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	27.5	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50378414 (CHEMBL1204013) Show SMILES ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C22H30N4O5/c27-20(24-30)18-12-17(31-22(29)25-9-4-5-10-25)13-23-19(18)21(28)26-11-8-16(14-26)15-6-2-1-3-7-15/h1-3,6-7,16-19,23,30H,4-5,8-14H2,(H,24,27)/t16-,17?,18-,19-/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	28	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301123 ((2S,3S)-N-hydroxy-5-(N-methylbenzamido)-2-((R)-3-p...) Show SMILES CN(C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CC[C@@H](C1)c1ccccc1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H30N4O4/c1-28(24(31)18-10-6-3-7-11-18)20-14-21(23(30)27-33)22(26-15-20)25(32)29-13-12-19(16-29)17-8-4-2-5-9-17/h2-11,19-22,26,33H,12-16H2,1H3,(H,27,30)/t19-,20?,21-,22-/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	29	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301116 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CC=CC1 |r,c:33| Show InChI InChI=1S/C23H31N5O5/c1-25-16-18(33-23(31)28-9-5-6-10-28)15-19(21(29)24-32)20(25)22(30)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h2-8,18-20,32H,9-16H2,1H3,(H,24,29)/t18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301121 ((3R,5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-1,2,3,...) Show SMILES ONC(=O)[C@H]1C[C@H](CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1)OC(=O)N1CCCC1 |r,c:16| Show InChI InChI=1S/C23H30N4O5/c28-21(25-31)19-14-18(32-23(30)27-10-4-5-11-27)15-24-20(19)22(29)26-12-8-17(9-13-26)16-6-2-1-3-7-16/h1-3,6-8,18-20,24,31H,4-5,9-15H2,(H,25,28)/t18-,19+,20+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301115 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN(C)C(=O)O[C@H]1C[C@@H]([C@H](N(C)C1)C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C21H31N5O5/c1-23(2)21(29)31-16-13-17(19(27)22-30)18(24(3)14-16)20(28)26-11-9-25(10-12-26)15-7-5-4-6-8-15/h4-8,16-18,30H,9-14H2,1-3H3,(H,22,27)/t16-,17-,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	31	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					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 ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301119 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCCCC1 |r| Show InChI InChI=1S/C25H37N5O5/c1-27-18-20(35-25(33)30-11-7-2-3-8-12-30)17-21(23(31)26-34)22(27)24(32)29-15-13-28(14-16-29)19-9-5-4-6-10-19/h4-6,9-10,20-22,34H,2-3,7-8,11-18H2,1H3,(H,26,31)/t20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301108 ((5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperidine...) Show SMILES ONC(=O)[C@H]1C[C@@H](CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H32N4O5/c28-21(25-31)19-14-18(32-23(30)27-10-4-5-11-27)15-24-20(19)22(29)26-12-8-17(9-13-26)16-6-2-1-3-7-16/h1-3,6-7,17-20,24,31H,4-5,8-15H2,(H,25,28)/t18-,19-,20-/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	42	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301102 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCC1 |r| Show InChI InChI=1S/C22H31N5O5/c1-24-15-17(32-22(30)27-8-5-9-27)14-18(20(28)23-31)19(24)21(29)26-12-10-25(11-13-26)16-6-3-2-4-7-16/h2-4,6-7,17-19,31H,5,8-15H2,1H3,(H,23,28)/t17-,18-,19-/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	44.5	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301117 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C23H31F2N5O5/c1-27-14-17(35-22(33)30-8-7-23(24,25)15-30)13-18(20(31)26-34)19(27)21(32)29-11-9-28(10-12-29)16-5-3-2-4-6-16/h2-6,17-19,34H,7-15H2,1H3,(H,26,31)/t17-,18-,19-/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	50.5	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301122 ((2S,3S)-N-hydroxy-5-(N-methylisobutyramido)-2-((R)...) Show SMILES CC(C)C(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CC[C@@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C22H32N4O4/c1-14(2)21(28)25(3)17-11-18(20(27)24-30)19(23-12-17)22(29)26-10-9-16(13-26)15-7-5-4-6-8-15/h4-8,14,16-19,23,30H,9-13H2,1-3H3,(H,24,27)/t16-,17?,18-,19-/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 HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301115 ((3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phen...) Show SMILES CN(C)C(=O)O[C@H]1C[C@@H]([C@H](N(C)C1)C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C21H31N5O5/c1-23(2)21(29)31-16-13-17(19(27)22-30)18(24(3)14-16)20(28)26-11-9-25(10-12-26)15-7-5-4-6-8-15/h4-8,16-18,30H,9-14H2,1-3H3,(H,22,27)/t16-,17-,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301110 ((5S,6S)-5-(hydroxycarbamoyl)-6-(3-phenyl-2,5-dihyd...) Show SMILES ONC(=O)[C@H]1C[C@@H](CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1)OC(=O)N1CCCC1 |r,c:15| Show InChI InChI=1S/C22H28N4O5/c27-20(24-30)18-12-17(31-22(29)25-9-4-5-10-25)13-23-19(18)21(28)26-11-8-16(14-26)15-6-2-1-3-7-15/h1-3,6-8,17-19,23,30H,4-5,9-14H2,(H,24,27)/t17-,18-,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50301112 ((5S,6S)-5-(hydroxycarbamoyl)-6-(isoindoline-2-carb...) Show SMILES ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1Cc2ccccc2C1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C20H26N4O5/c25-18(22-28)16-9-15(29-20(27)23-7-3-4-8-23)10-21-17(16)19(26)24-11-13-5-1-2-6-14(13)12-24/h1-2,5-6,15-17,21,28H,3-4,7-12H2,(H,22,25)/t15?,16-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301121 ((3R,5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-1,2,3,...) Show SMILES ONC(=O)[C@H]1C[C@H](CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1)OC(=O)N1CCCC1 |r,c:16| Show InChI InChI=1S/C23H30N4O5/c28-21(25-31)19-14-18(32-23(30)27-10-4-5-11-27)15-24-20(19)22(29)26-12-8-17(9-13-26)16-6-2-1-3-7-16/h1-3,6-8,18-20,24,31H,4-5,9-15H2,(H,25,28)/t18-,19+,20+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50378414 (CHEMBL1204013) Show SMILES ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C22H30N4O5/c27-20(24-30)18-12-17(31-22(29)25-9-4-5-10-25)13-23-19(18)21(28)26-11-8-16(14-26)15-6-2-1-3-7-15/h1-3,6-7,16-19,23,30H,4-5,8-14H2,(H,24,27)/t16-,17?,18-,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301123 ((2S,3S)-N-hydroxy-5-(N-methylbenzamido)-2-((R)-3-p...) Show SMILES CN(C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CC[C@@H](C1)c1ccccc1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H30N4O4/c1-28(24(31)18-10-6-3-7-11-18)20-14-21(23(30)27-33)22(26-15-20)25(32)29-13-12-19(16-29)17-8-4-2-5-9-17/h2-11,19-22,26,33H,12-16H2,1H3,(H,27,30)/t19-,20?,21-,22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					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 HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					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 ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM50301108 ((5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperidine...) Show SMILES ONC(=O)[C@H]1C[C@@H](CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H32N4O5/c28-21(25-31)19-14-18(32-23(30)27-10-4-5-11-27)15-24-20(19)22(29)26-12-8-17(9-13-26)16-6-2-1-3-7-16/h1-3,6-7,17-20,24,31H,4-5,8-15H2,(H,25,28)/t18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of ADAM-10				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50301104 ((5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-1,2,3,6-t...) Show SMILES ONC(=O)[C@H]1CC(CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1)OC(=O)N1CCCC1 |r,c:16| Show InChI InChI=1S/C23H30N4O5/c28-21(25-31)19-14-18(32-23(30)27-10-4-5-11-27)15-24-20(19)22(29)26-12-8-17(9-13-26)16-6-2-1-3-7-16/h1-3,6-8,18-20,24,31H,4-5,9-15H2,(H,25,28)/t18?,19-,20-/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	102	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of MMP-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
					More data for this Ligand-Target Pair

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