Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50091730'   

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))	BDBM50091730 ((S)-3-(2-{(R)-1-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...) Show SMILES Nc1cc(CCN2CCC[C@H](CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1 Show InChI InChI=1S/C19H24N4O4/c1-2-15(12-18(25)26)22-17(24)11-14-4-3-8-23(19(14)27)9-6-13-5-7-21-16(20)10-13/h1,5,7,10,14-15H,3-4,6,8-9,11-12H2,(H2,20,21)(H,22,24)(H,25,26)/t14-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	19	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))	BDBM50091730 ((S)-3-(2-{(R)-1-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...) Show SMILES Nc1cc(CCN2CCC[C@H](CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1 Show InChI InChI=1S/C19H24N4O4/c1-2-15(12-18(25)26)22-17(24)11-14-4-3-8-23(19(14)27)9-6-13-5-7-21-16(20)10-13/h1,5,7,10,14-15H,3-4,6,8-9,11-12H2,(H2,20,21)(H,22,24)(H,25,26)/t14-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	0.260	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))	BDBM50091730 ((S)-3-(2-{(R)-1-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...) Show SMILES Nc1cc(CCN2CCC[C@H](CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1 Show InChI InChI=1S/C19H24N4O4/c1-2-15(12-18(25)26)22-17(24)11-14-4-3-8-23(19(14)27)9-6-13-5-7-21-16(20)10-13/h1,5,7,10,14-15H,3-4,6,8-9,11-12H2,(H2,20,21)(H,22,24)(H,25,26)/t14-,15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	60	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