Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50058236'   

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))	BDBM50058236 ((S)-2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-pipe...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCn2n1)C(O)=O Show InChI InChI=1S/C21H34N6O6S/c1-2-3-12-34(32,33)25-17(21(30)31)14-23-19(28)16-13-18-20(29)26(10-11-27(18)24-16)9-6-15-4-7-22-8-5-15/h13,15,17,22,25H,2-12,14H2,1H3,(H,23,28)(H,30,31)/t17-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of gel filtered platelet aggregation induced by ADP.				J Med Chem 43: 3453-73 (2000) BindingDB Entry DOI: 10.7270/Q2ZS2X79
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058236 ((S)-2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-pipe...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCn2n1)C(O)=O Show InChI InChI=1S/C21H34N6O6S/c1-2-3-12-34(32,33)25-17(21(30)31)14-23-19(28)16-13-18-20(29)26(10-11-27(18)24-16)9-6-15-4-7-22-8-5-15/h13,15,17,22,25H,2-12,14H2,1H3,(H,23,28)(H,30,31)/t17-/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	1.40	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description Dissociation constant for alpha IIb beta-3 integrin rested platelets				J Med Chem 43: 3453-73 (2000) BindingDB Entry DOI: 10.7270/Q2ZS2X79
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058236 ((S)-2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-pipe...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCn2n1)C(O)=O Show InChI InChI=1S/C21H34N6O6S/c1-2-3-12-34(32,33)25-17(21(30)31)14-23-19(28)16-13-18-20(29)26(10-11-27(18)24-16)9-6-15-4-7-22-8-5-15/h13,15,17,22,25H,2-12,14H2,1H3,(H,23,28)(H,30,31)/t17-/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	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of L-736,622 from purified resting Fibrinogen Receptor				J Med Chem 40: 1779-88 (1997) Article DOI: 10.1021/jm9608117 BindingDB Entry DOI: 10.7270/Q2222VDD
					More data for this Ligand-Target Pair