Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50155250'   

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))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro binding affinity for FITC-labeled fibrinogen binding to alphaIIb-beta3 receptor of human platelets				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of FITC-labeled fibrinogen binding to alphaIIb-beta3 receptor of human platelets				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of human platelet aggregation in suspension				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50155250 (3-[3-(2,3-Dihydro-1H-isoindol-5-ylcarbamoyl)-propi...) Show SMILES OC(=O)CC(NC(=O)CCC(=O)Nc1ccc2CNCc2c1)c1ccccc1 Show InChI InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description In vitro inhibition of human platelet aggregation in platelet rich plasma				Bioorg Med Chem Lett 14: 5533-5 (2004) Article DOI: 10.1016/j.bmcl.2004.09.002 BindingDB Entry DOI: 10.7270/Q2J38T9M
					More data for this Ligand-Target Pair