Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50029695   

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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50059688 (7-[(6-Carbamimidoyl-1H-indole-3-carbonyl)-amino]-h...) Show SMILES NC(=N)c1ccc2c(c[nH]c2c1)C(=O)NCCCCCCC(O)=O Show InChI InChI=1S/C17H22N4O3/c18-16(19)11-6-7-12-13(10-21-14(12)9-11)17(24)20-8-4-2-1-3-5-15(22)23/h6-7,9-10,21H,1-5,8H2,(H3,18,19)(H,20,24)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 81-86 (1996) Article DOI: 10.1016/0960-894X(95)00563-9 BindingDB Entry DOI: 10.7270/Q2445MGV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50286938 ((S)-N-[(S)-1-[(S)-1-(1-Carbamoyl-2-mercapto-2-meth...) Show SMILES CC(C)(S)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CCS)C(N)=O |wU:4.3,8.8,45.47,wD:33.35,19.19,(21.21,-6.94,;19.82,-7.6,;18.43,-8.26,;20.48,-8.99,;19.16,-6.21,;17.63,-6.08,;16.97,-4.69,;17.84,-3.42,;15.43,-4.56,;14.77,-3.17,;15.65,-1.9,;14.99,-.51,;15.87,.76,;17.41,.63,;18.28,1.89,;18.06,-.76,;14.56,-5.83,;15.21,-7.22,;16.75,-7.35,;14.34,-8.49,;14.99,-9.88,;14.12,-11.14,;12.58,-11.18,;12.13,-12.65,;13.4,-13.53,;13.6,-15.06,;15.02,-15.65,;16.24,-14.72,;16.05,-13.19,;14.63,-12.6,;12.8,-8.36,;12.14,-6.97,;13.02,-5.7,;10.61,-6.84,;9.73,-8.11,;10.39,-9.5,;9.51,-10.76,;11.92,-9.62,;9.95,-5.45,;8.42,-5.32,;7.54,-6.59,;7.76,-3.93,;6.22,-3.8,;5.57,-2.41,;6.44,-1.14,;4.03,-2.28,;3.37,-.89,;1.84,-.76,;1.18,.63,;-.35,.76,;-1.01,2.15,;-2.55,2.27,;-.13,3.41,;3.15,-3.55,;3.81,-4.94,;5.35,-5.07,;2.93,-6.21,;3.59,-7.6,;2.72,-8.87,;20.04,-4.94,;19.38,-3.55,;21.57,-5.07,)| Show InChI InChI=1S/C37H58N14O9S2/c1-37(2,62)29(30(38)56)51-32(58)23(10-6-13-44-36(41)42)49-33(59)24(15-19-17-45-21-8-4-3-7-20(19)21)50-34(60)25(16-28(54)55)48-27(53)18-46-31(57)22(47-26(52)11-14-61)9-5-12-43-35(39)40/h3-4,7-8,17,22-25,29,45,61-62H,5-6,9-16,18H2,1-2H3,(H2,38,56)(H,46,57)(H,47,52)(H,48,53)(H,49,59)(H,50,60)(H,51,58)(H,54,55)(H4,39,40,43)(H4,41,42,44)/t22-,23-,24-,25-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 81-86 (1996) Article DOI: 10.1016/0960-894X(95)00563-9 BindingDB Entry DOI: 10.7270/Q2445MGV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50059691 (7-[(6-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-h...) Show SMILES NC(=N)c1ccc2cc([nH]c2c1)C(=O)NCCCCCCC(O)=O Show InChI InChI=1S/C17H22N4O3/c18-16(19)12-7-6-11-9-14(21-13(11)10-12)17(24)20-8-4-2-1-3-5-15(22)23/h6-7,9-10,21H,1-5,8H2,(H3,18,19)(H,20,24)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 81-86 (1996) Article DOI: 10.1016/0960-894X(95)00563-9 BindingDB Entry DOI: 10.7270/Q2445MGV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50059707 (7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-h...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCCCCCC(O)=O Show InChI InChI=1S/C17H22N4O3/c18-16(19)11-6-7-13-12(9-11)10-14(21-13)17(24)20-8-4-2-1-3-5-15(22)23/h6-7,9-10,21H,1-5,8H2,(H3,18,19)(H,20,24)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 81-86 (1996) Article DOI: 10.1016/0960-894X(95)00563-9 BindingDB Entry DOI: 10.7270/Q2445MGV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50059709 (8-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-o...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCCCCCCC(O)=O Show InChI InChI=1S/C18H24N4O3/c19-17(20)12-7-8-14-13(10-12)11-15(22-14)18(25)21-9-5-3-1-2-4-6-16(23)24/h7-8,10-11,22H,1-6,9H2,(H3,19,20)(H,21,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 81-86 (1996) Article DOI: 10.1016/0960-894X(95)00563-9 BindingDB Entry DOI: 10.7270/Q2445MGV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)(H,29,30)(H4,17,18,19)/t7-,8-,9-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 81-86 (1996) Article DOI: 10.1016/0960-894X(95)00563-9 BindingDB Entry DOI: 10.7270/Q2445MGV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50059693 (7-[2-(4-Carbamimidoyl-phenylamino)-acetylamino]-he...) Show SMILES NC(=N)c1ccc(NCC(=O)NCCCCCCC(O)=O)cc1 Show InChI InChI=1S/C16H24N4O3/c17-16(18)12-6-8-13(9-7-12)20-11-14(21)19-10-4-2-1-3-5-15(22)23/h6-9,20H,1-5,10-11H2,(H3,17,18)(H,19,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 81-86 (1996) Article DOI: 10.1016/0960-894X(95)00563-9 BindingDB Entry DOI: 10.7270/Q2445MGV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50059708 (6-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-h...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCCCCC(O)=O Show InChI InChI=1S/C16H20N4O3/c17-15(18)10-5-6-12-11(8-10)9-13(20-12)16(23)19-7-3-1-2-4-14(21)22/h5-6,8-9,20H,1-4,7H2,(H3,17,18)(H,19,23)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 81-86 (1996) Article DOI: 10.1016/0960-894X(95)00563-9 BindingDB Entry DOI: 10.7270/Q2445MGV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50059702 (5-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-p...) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCCCC(O)=O Show InChI InChI=1S/C15H18N4O3/c16-14(17)9-4-5-11-10(7-9)8-12(19-11)15(22)18-6-2-1-3-13(20)21/h4-5,7-8,19H,1-3,6H2,(H3,16,17)(H,18,22)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 81-86 (1996) Article DOI: 10.1016/0960-894X(95)00563-9 BindingDB Entry DOI: 10.7270/Q2445MGV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50059697 (7-[2-(3-Carbamimidoyl-phenylamino)-acetylamino]-he...) Show SMILES NC(=N)c1cccc(NCC(=O)NCCCCCCC(O)=O)c1 Show InChI InChI=1S/C16H24N4O3/c17-16(18)12-6-5-7-13(10-12)20-11-14(21)19-9-4-2-1-3-8-15(22)23/h5-7,10,20H,1-4,8-9,11H2,(H3,17,18)(H,19,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 81-86 (1996) Article DOI: 10.1016/0960-894X(95)00563-9 BindingDB Entry DOI: 10.7270/Q2445MGV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50059692 (7-[(5-Carbamimidoyl-1H-indole-3-carbonyl)-amino]-h...) Show SMILES NC(=N)c1ccc2[nH]cc(C(=O)NCCCCCCC(O)=O)c2c1 Show InChI InChI=1S/C17H22N4O3/c18-16(19)11-6-7-14-12(9-11)13(10-21-14)17(24)20-8-4-2-1-3-5-15(22)23/h6-7,9-10,21H,1-5,8H2,(H3,18,19)(H,20,24)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 81-86 (1996) Article DOI: 10.1016/0960-894X(95)00563-9 BindingDB Entry DOI: 10.7270/Q2445MGV
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50059695 (8-[(5-Carbamimidoyl-1H-indole-3-carbonyl)-amino]-o...) Show SMILES NC(=N)c1ccc2[nH]cc(C(=O)NCCCCCCCC(O)=O)c2c1 Show InChI InChI=1S/C18H24N4O3/c19-17(20)12-7-8-15-13(10-12)14(11-22-15)18(25)21-9-5-3-1-2-4-6-16(23)24/h7-8,10-11,22H,1-6,9H2,(H3,19,20)(H,21,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 81-86 (1996) Article DOI: 10.1016/0960-894X(95)00563-9 BindingDB Entry DOI: 10.7270/Q2445MGV
					More data for this Ligand-Target Pair