BDBM50127940 (S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)-amino]-2H-pyrazin-1-yl}-acetylamino)-3-pyridin-3-yl-propionic acid::CHEMBL51152

SMILES: OC(=O)C[C@H](NC(=O)Cn1c(cnc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccnc1

InChI Key: InChIKey=ZATLFCSNKBMFBH-FQEVSTJZSA-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 = 50127940   

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-IIb/beta-3 (Homo sapiens (Human))	BDBM50127940 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(cnc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccnc1 Show InChI InChI=1S/C26H29N7O4/c34-22(32-20(11-23(35)36)18-4-1-9-27-12-18)15-33-21(16-5-6-16)14-30-25(26(33)37)29-13-19-8-7-17-3-2-10-28-24(17)31-19/h1,4,7-9,12,14,16,20H,2-3,5-6,10-11,13,15H2,(H,28,31)(H,29,30)(H,32,34)(H,35,36)/t20-/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
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50127940 ((S)-3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahyd...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(cnc(NCc2ccc3CCCNc3n2)c1=O)C1CC1)c1cccnc1 Show InChI InChI=1S/C26H29N7O4/c34-22(32-20(11-23(35)36)18-4-1-9-27-12-18)15-33-21(16-5-6-16)14-30-25(26(33)37)29-13-19-8-7-17-3-2-10-28-24(17)31-19/h1,4,7-9,12,14,16,20H,2-3,5-6,10-11,13,15H2,(H,28,31)(H,29,30)(H,32,34)(H,35,36)/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	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