Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50065171'   

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))	BDBM50065171 ((S)-N-((S)-1-Carboxy-2-cyclohexyl-ethyl)-3-{2-[eth...) Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(O)=O)C(=O)CCCC1CCNCC1 Show InChI InChI=1S/C26H44N4O7/c1-2-30(23(32)10-6-9-18-11-13-27-14-12-18)17-22(31)28-20(16-24(33)34)25(35)29-21(26(36)37)15-19-7-4-3-5-8-19/h18-21,27H,2-17H2,1H3,(H,28,31)(H,29,35)(H,33,34)(H,36,37)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Rhône-Poulenc Rorer Central Research Curated by ChEMBL					Assay Description Inhibition of radiolabeled fibrinogen binding to activated human platelets.				J Med Chem 41: 2492-502 (1998) Article DOI: 10.1021/jm9801096 BindingDB Entry DOI: 10.7270/Q2057F28
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50065171 ((S)-N-((S)-1-Carboxy-2-cyclohexyl-ethyl)-3-{2-[eth...) Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(O)=O)C(=O)CCCC1CCNCC1 Show InChI InChI=1S/C26H44N4O7/c1-2-30(23(32)10-6-9-18-11-13-27-14-12-18)17-22(31)28-20(16-24(33)34)25(35)29-21(26(36)37)15-19-7-4-3-5-8-19/h18-21,27H,2-17H2,1H3,(H,28,31)(H,29,35)(H,33,34)(H,36,37)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Rhône-Poulenc Rorer Central Research Curated by ChEMBL					Assay Description Ability of the compound to inhibit the aggregation of fixed human platelets				J Med Chem 41: 2492-502 (1998) Article DOI: 10.1021/jm9801096 BindingDB Entry DOI: 10.7270/Q2057F28
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50065171 ((S)-N-((S)-1-Carboxy-2-cyclohexyl-ethyl)-3-{2-[eth...) Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(O)=O)C(=O)CCCC1CCNCC1 Show InChI InChI=1S/C26H44N4O7/c1-2-30(23(32)10-6-9-18-11-13-27-14-12-18)17-22(31)28-20(16-24(33)34)25(35)29-21(26(36)37)15-19-7-4-3-5-8-19/h18-21,27H,2-17H2,1H3,(H,28,31)(H,29,35)(H,33,34)(H,36,37)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Central Research Curated by ChEMBL					Assay Description Inhibition of HUVEC adhesion to fibrinogen-coated plates				J Med Chem 41: 2492-502 (1998) Article DOI: 10.1021/jm9801096 BindingDB Entry DOI: 10.7270/Q2057F28
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50065171 ((S)-N-((S)-1-Carboxy-2-cyclohexyl-ethyl)-3-{2-[eth...) Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(O)=O)C(=O)CCCC1CCNCC1 Show InChI InChI=1S/C26H44N4O7/c1-2-30(23(32)10-6-9-18-11-13-27-14-12-18)17-22(31)28-20(16-24(33)34)25(35)29-21(26(36)37)15-19-7-4-3-5-8-19/h18-21,27H,2-17H2,1H3,(H,28,31)(H,29,35)(H,33,34)(H,36,37)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.65E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Central Research Curated by ChEMBL					Assay Description Inhibition of HUVEC adhesion to fibrinogen-coated plates				J Med Chem 41: 2492-502 (1998) Article DOI: 10.1021/jm9801096 BindingDB Entry DOI: 10.7270/Q2057F28
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50065171 ((S)-N-((S)-1-Carboxy-2-cyclohexyl-ethyl)-3-{2-[eth...) Show SMILES CCN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(O)=O)C(=O)CCCC1CCNCC1 Show InChI InChI=1S/C26H44N4O7/c1-2-30(23(32)10-6-9-18-11-13-27-14-12-18)17-22(31)28-20(16-24(33)34)25(35)29-21(26(36)37)15-19-7-4-3-5-8-19/h18-21,27H,2-17H2,1H3,(H,28,31)(H,29,35)(H,33,34)(H,36,37)/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.75E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Central Research Curated by ChEMBL					Assay Description Inhibition of HUVEC adhesion to fibrinogen-coated plates				J Med Chem 41: 2492-502 (1998) Article DOI: 10.1021/jm9801096 BindingDB Entry DOI: 10.7270/Q2057F28
					More data for this Ligand-Target Pair