Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50264380'   

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))	BDBM50264380 (CHEMBL4078717) Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCc2nn(CC(O)=O)cc2C1 |r| Show InChI InChI=1S/C25H25N7O6/c26-23(27)16-3-5-17(6-4-16)24(35)28-21(11-15-1-7-19(8-2-15)32(37)38)25(36)30-10-9-20-18(12-30)13-31(29-20)14-22(33)34/h1-8,13,21H,9-12,14H2,(H3,26,27)(H,28,35)(H,33,34)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Displacement of [3H]UR-3189 from integrin alpha2b beta3 receptor in resting human platelet				J Med Chem 60: 3241-3251 (2017) Article DOI: 10.1021/acs.jmedchem.6b01711 BindingDB Entry DOI: 10.7270/Q29W0HZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50264380 (CHEMBL4078717) Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCc2nn(CC(O)=O)cc2C1 |r| Show InChI InChI=1S/C25H25N7O6/c26-23(27)16-3-5-17(6-4-16)24(35)28-21(11-15-1-7-19(8-2-15)32(37)38)25(36)30-10-9-20-18(12-30)13-31(29-20)14-22(33)34/h1-8,13,21H,9-12,14H2,(H3,26,27)(H,28,35)(H,33,34)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Antagonist activity at integrin alpha2b beta3 receptor in human platelet-rich plasma assessed as inhibition of ADP-induced platelets aggregation by l...				J Med Chem 60: 3241-3251 (2017) Article DOI: 10.1021/acs.jmedchem.6b01711 BindingDB Entry DOI: 10.7270/Q29W0HZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)