Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50161783'   

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-V/beta-3 (Homo sapiens (Human))	BDBM50161783 (3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol...) Show SMILES CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1 Show InChI InChI=1S/C19H21N3O3/c1-20-18-4-2-3-15(21-18)9-12-25-16-5-6-17-14(13-16)7-10-22(17)11-8-19(23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50161783 (3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol...) Show SMILES CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1 Show InChI InChI=1S/C19H21N3O3/c1-20-18-4-2-3-15(21-18)9-12-25-16-5-6-17-14(13-16)7-10-22(17)11-8-19(23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of integrin alphavbeta3 (unknown origin) by fluorescence polarization assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112719 BindingDB Entry DOI: 10.7270/Q2K93C6C
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50161783 (3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol...) Show SMILES CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1 Show InChI InChI=1S/C19H21N3O3/c1-20-18-4-2-3-15(21-18)9-12-25-16-5-6-17-14(13-16)7-10-22(17)11-8-19(23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description In vitro inhibition of human alphaV-beta3 integrin binding in ELISA				J Med Chem 48: 926-34 (2005) Article DOI: 10.1021/jm049725u BindingDB Entry DOI: 10.7270/Q2W37VTG
					More data for this Ligand-Target Pair