BDBM50166675 3-(3-Chloro-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid::CHEMBL190625

SMILES: OC(=O)CC(c1cccc(Cl)c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12

InChI Key: InChIKey=YRCDKPLXZYFHKS-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 = 50166675   

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))	BDBM50166675 (3-(3-Chloro-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[1...) Show SMILES OC(=O)CC(c1cccc(Cl)c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C27H26ClN3O3/c28-21-5-1-3-19(15-21)25(17-26(32)33)31-13-10-20-16-23(8-9-24(20)31)34-14-11-22-7-6-18-4-2-12-29-27(18)30-22/h1,3,5-10,13,15-16,25H,2,4,11-12,14,17H2,(H,29,30)(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	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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