BDBM50121151 3-[5-(3-Cyclopropyl-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-pentanoylamino]-2-(2,3-dihydro-benzofuran-6-yl)-propionic acid::CHEMBL116142

SMILES: OC(=O)C(CNC(=O)CCCCc1nc2NCCCc2cc1C1CC1)c1ccc2CCOc2c1

InChI Key: InChIKey=ITHSUPJAQZZIJZ-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 = 50121151   

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))	BDBM50121151 (3-[5-(3-Cyclopropyl-5,6,7,8-tetrahydro-[1,8]naphth...) Show SMILES OC(=O)C(CNC(=O)CCCCc1nc2NCCCc2cc1C1CC1)c1ccc2CCOc2c1 Show InChI InChI=1S/C27H33N3O4/c31-25(29-16-22(27(32)33)19-10-9-18-11-13-34-24(18)15-19)6-2-1-5-23-21(17-7-8-17)14-20-4-3-12-28-26(20)30-23/h9-10,14-15,17,22H,1-8,11-13,16H2,(H,28,30)(H,29,31)(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.290	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