BDBM50127953 (S)-3-(2-{5-Chloro-6-ethyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)-amino]-2H-pyrazin-1-yl}-acetylamino)-3-(3-fluoro-phenyl)-propionic acid::CHEMBL53145

SMILES: CCc1c(Cl)nc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1

InChI Key: InChIKey=SBCGXWVXJMEADV-IBGZPJMESA-N

Data: 2 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 2 hits for monomerid = 50127953   

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))	BDBM50127953 ((S)-3-(2-{5-Chloro-6-ethyl-2-oxo-3-[(5,6,7,8-tetra...) Show SMILES CCc1c(Cl)nc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C26H28ClFN6O4/c1-2-20-23(27)33-25(30-13-18-9-8-15-6-4-10-29-24(15)31-18)26(38)34(20)14-21(35)32-19(12-22(36)37)16-5-3-7-17(28)11-16/h3,5,7-9,11,19H,2,4,6,10,12-14H2,1H3,(H,29,31)(H,30,33)(H,32,35)(H,36,37)/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50127953 ((S)-3-(2-{5-Chloro-6-ethyl-2-oxo-3-[(5,6,7,8-tetra...) Show SMILES CCc1c(Cl)nc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C26H28ClFN6O4/c1-2-20-23(27)33-25(30-13-18-9-8-15-6-4-10-29-24(15)31-18)26(38)34(20)14-21(35)32-19(12-22(36)37)16-5-3-7-17(28)11-16/h3,5,7-9,11,19H,2,4,6,10,12-14H2,1H3,(H,29,31)(H,30,33)(H,32,35)(H,36,37)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platele...				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair