BDBM50166683 3-Quinolin-3-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid::CHEMBL194001

SMILES: OC(=O)CC(c1cnc2ccccc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12

InChI Key: InChIKey=ICALNGJCZQBZDD-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50166683   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50166683 (3-Quinolin-3-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]n...) Show SMILES OC(=O)CC(c1cnc2ccccc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C30H28N4O3/c35-29(36)18-28(23-16-21-4-1-2-6-26(21)32-19-23)34-14-11-22-17-25(9-10-27(22)34)37-15-12-24-8-7-20-5-3-13-31-30(20)33-24/h1-2,4,6-11,14,16-17,19,28H,3,5,12-13,15,18H2,(H,31,33)(H,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.380	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
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