BDBM50166677 3-(5-Cyano-pyridin-3-yl)-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-ethoxy]-indol-1-yl}-propionic acid::CHEMBL189979

SMILES: OC(=O)CC(c1cncc(c1)C#N)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12

InChI Key: InChIKey=ZVPFRHUDZYLXOW-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 = 50166677   

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))	BDBM50166677 (3-(5-Cyano-pyridin-3-yl)-3-{5-[2-(5,6,7,8-tetrahyd...) Show SMILES OC(=O)CC(c1cncc(c1)C#N)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C27H25N5O3/c28-15-18-12-21(17-29-16-18)25(14-26(33)34)32-10-7-20-13-23(5-6-24(20)32)35-11-8-22-4-3-19-2-1-9-30-27(19)31-22/h3-7,10,12-13,16-17,25H,1-2,8-9,11,14H2,(H,30,31)(H,33,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	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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