BDBM50421058 CHEMBL2087848

SMILES: CC#CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O

InChI Key: InChIKey=QGIIIBPDCXUOKY-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 = 50421058   

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
Glutamate racemase (Helicobacter pylori J99)	BDBM50421058 (CHEMBL2087848) Show SMILES CC#CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O |(9.77,-25.41,;9.78,-26.95,;9.8,-28.49,;9.8,-30.03,;11.14,-30.8,;11.14,-32.34,;9.81,-33.11,;12.47,-33.1,;12.47,-34.64,;11.13,-35.41,;9.59,-35.42,;10.36,-36.75,;13.8,-32.34,;15.26,-32.82,;16.17,-31.57,;17.71,-31.57,;18.48,-32.9,;17.71,-34.23,;18.48,-35.57,;20.02,-35.57,;20.78,-34.22,;22.31,-34.21,;23.07,-32.89,;22.29,-31.56,;23.05,-30.22,;20.77,-31.57,;20.01,-32.9,;15.26,-30.32,;16.06,-29.01,;17.59,-28.87,;17.94,-27.37,;16.62,-26.58,;15.46,-27.59,;13.96,-27.24,;13.8,-30.8,;12.47,-30.02,;12.47,-28.48,)| Show InChI InChI=1S/C27H24ClN7O2/c1-3-4-11-33-26(36)23-24(22-13-29-16-32(22)2)35(31-25(23)34(27(33)37)14-17-5-6-17)15-18-9-10-30-21-8-7-19(28)12-20(18)21/h7-10,12-13,16-17H,5-6,11,14-15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori J99 glutamate racemase				Bioorg Med Chem Lett 22: 5600-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.004 BindingDB Entry DOI: 10.7270/Q2NZ88XM
					More data for this Ligand-Target Pair