Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50161784'   

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))	BDBM50161784 (3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...) Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12 Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	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))	BDBM50161784 (3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...) Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12 Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50161784 (3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...) Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12 Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	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