BDBM50121153 3-{[5-(3-Cyclopropyl-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-pentanoyl]-methyl-amino}-2-(2,3-dihydro-benzofuran-6-yl)-propionic acid::CHEMBL330956

SMILES: CN(CC(C(O)=O)c1ccc2CCOc2c1)C(=O)CCCCc1nc2NCCCc2cc1C1CC1

InChI Key: InChIKey=RXTBIRIYBNVLMP-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 = 50121153   

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))	BDBM50121153 (3-{[5-(3-Cyclopropyl-5,6,7,8-tetrahydro-[1,8]napht...) Show SMILES CN(CC(C(O)=O)c1ccc2CCOc2c1)C(=O)CCCCc1nc2NCCCc2cc1C1CC1 Show InChI InChI=1S/C28H35N3O4/c1-31(17-23(28(33)34)20-11-10-19-12-14-35-25(19)16-20)26(32)7-3-2-6-24-22(18-8-9-18)15-21-5-4-13-29-27(21)30-24/h10-11,15-16,18,23H,2-9,12-14,17H2,1H3,(H,29,30)(H,33,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.490	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