Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50091740'   

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))	BDBM50091740 ((S)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)C#C Show InChI InChI=1S/C19H29N3O4/c1-2-16(12-18(24)25)21-17(23)13-22-11-3-4-15(19(22)26)6-5-14-7-9-20-10-8-14/h1,14-16,20H,3-13H2,(H,21,23)(H,24,25)/t15-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50091740 ((S)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)C#C Show InChI InChI=1S/C19H29N3O4/c1-2-16(12-18(24)25)21-17(23)13-22-11-3-4-15(19(22)26)6-5-14-7-9-20-10-8-14/h1,14-16,20H,3-13H2,(H,21,23)(H,24,25)/t15-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50091740 ((S)-3-{2-[(R)-2-Oxo-3-(2-piperidin-4-yl-ethyl)-pip...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)C#C Show InChI InChI=1S/C19H29N3O4/c1-2-16(12-18(24)25)21-17(23)13-22-11-3-4-15(19(22)26)6-5-14-7-9-20-10-8-14/h1,14-16,20H,3-13H2,(H,21,23)(H,24,25)/t15-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair