Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50091738'   

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))	BDBM50091738 ((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)c1cccnc1 Show InChI InChI=1S/C22H32N4O4/c27-20(25-19(13-21(28)29)18-3-1-9-24-14-18)15-26-12-2-4-17(22(26)30)6-5-16-7-10-23-11-8-16/h1,3,9,14,16-17,19,23H,2,4-8,10-13,15H2,(H,25,27)(H,28,29)/t17-,19-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...				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))	BDBM50091738 ((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)c1cccnc1 Show InChI InChI=1S/C22H32N4O4/c27-20(25-19(13-21(28)29)18-3-1-9-24-14-18)15-26-12-2-4-17(22(26)30)6-5-16-7-10-23-11-8-16/h1,3,9,14,16-17,19,23H,2,4-8,10-13,15H2,(H,25,27)(H,28,29)/t17-,19-/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	84	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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50091738 ((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)c1cccnc1 Show InChI InChI=1S/C22H32N4O4/c27-20(25-19(13-21(28)29)18-3-1-9-24-14-18)15-26-12-2-4-17(22(26)30)6-5-16-7-10-23-11-8-16/h1,3,9,14,16-17,19,23H,2,4-8,10-13,15H2,(H,25,27)(H,28,29)/t17-,19-/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	0.380	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair