BDBM50121148 2-(2,3-Dihydro-benzofuran-6-yl)-3-(3-1,2,3,4,6,7,8,9-octahydro-benzo[b][1,8]naphthyridin-8-yl-propionylamino)-propionic acid::CHEMBL115976

SMILES: OC(=O)C(CNC(=O)CCC1CCc2cc3CCCNc3nc2C1)c1ccc2CCOc2c1

InChI Key: InChIKey=ZIYZOTDZIZBOGY-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 = 50121148   

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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50121148 (2-(2,3-Dihydro-benzofuran-6-yl)-3-(3-1,2,3,4,6,7,8...) Show SMILES OC(=O)C(CNC(=O)CCC1CCc2cc3CCCNc3nc2C1)c1ccc2CCOc2c1 Show InChI InChI=1S/C26H31N3O4/c30-24(28-15-21(26(31)32)18-7-6-17-9-11-33-23(17)14-18)8-4-16-3-5-19-13-20-2-1-10-27-25(20)29-22(19)12-16/h6-7,13-14,16,21H,1-5,8-12,15H2,(H,27,29)(H,28,30)(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
					More data for this Ligand-Target Pair