BDBM50127952 (S)-3-(2-{5-Chloro-6-methyl-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::CHEMBL301301

SMILES: Cc1c(Cl)nc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1

InChI Key: InChIKey=ASSOJPJBNSNTEH-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 = 50127952   

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))	BDBM50127952 ((S)-3-(2-{5-Chloro-6-methyl-2-oxo-3-[(5,6,7,8-tetr...) Show SMILES Cc1c(Cl)nc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C25H26ClFN6O4/c1-14-22(26)32-24(29-12-18-8-7-15-5-3-9-28-23(15)30-18)25(37)33(14)13-20(34)31-19(11-21(35)36)16-4-2-6-17(27)10-16/h2,4,6-8,10,19H,3,5,9,11-13H2,1H3,(H,28,30)(H,29,32)(H,31,34)(H,35,36)/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	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 IIb beta3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platel...				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))	BDBM50127952 ((S)-3-(2-{5-Chloro-6-methyl-2-oxo-3-[(5,6,7,8-tetr...) Show SMILES Cc1c(Cl)nc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C25H26ClFN6O4/c1-14-22(26)32-24(29-12-18-8-7-15-5-3-9-28-23(15)30-18)25(37)33(14)13-20(34)31-19(11-21(35)36)16-4-2-6-17(27)10-16/h2,4,6-8,10,19H,3,5,9,11-13H2,1H3,(H,28,30)(H,29,32)(H,31,34)(H,35,36)/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 Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
					More data for this Ligand-Target Pair