BDBM50121154 2-(2,3-Dihydro-benzofuran-6-yl)-3-[methyl-(5-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-pentanoyl)-amino]-propionic acid::CHEMBL115855

SMILES: CN(CC(C(O)=O)c1ccc2CCOc2c1)C(=O)CCCCc1ccc2CCCNc2n1

InChI Key: InChIKey=CKABJNNBXOFZHJ-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 = 50121154   

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))	BDBM50121154 (2-(2,3-Dihydro-benzofuran-6-yl)-3-[methyl-(5-5,6,7...) Show SMILES CN(CC(C(O)=O)c1ccc2CCOc2c1)C(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C25H31N3O4/c1-28(16-21(25(30)31)19-9-8-17-12-14-32-22(17)15-19)23(29)7-3-2-6-20-11-10-18-5-4-13-26-24(18)27-20/h8-11,15,21H,2-7,12-14,16H2,1H3,(H,26,27)(H,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.740	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