BDBM50421063 CHEMBL2087854

SMILES: CC(C#C)n1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O

InChI Key: InChIKey=GXKBYITWIIEZIQ-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 = 50421063   

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)	BDBM50421063 (CHEMBL2087854) Show SMILES CC(C#C)n1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3cncn3C)c2c1=O |(12.68,3.01,;12.68,1.47,;11.35,.7,;10.01,-.06,;14.02,.71,;14.02,-.83,;12.68,-1.6,;15.34,-1.59,;15.34,-3.13,;14.01,-3.9,;12.47,-3.91,;13.24,-5.24,;16.67,-.83,;18.14,-1.31,;19.05,-.06,;20.59,-.06,;21.36,-1.4,;20.58,-2.73,;21.35,-4.06,;22.89,-4.06,;23.66,-2.71,;25.19,-2.71,;25.95,-1.38,;25.17,-.05,;25.93,1.29,;23.64,-.07,;22.89,-1.39,;18.14,1.18,;18.94,2.5,;20.47,2.63,;20.82,4.13,;19.5,4.93,;18.34,3.92,;16.83,4.26,;16.67,.71,;15.34,1.49,;15.34,3.03,)| Show InChI InChI=1S/C27H24ClN7O2/c1-4-16(2)35-26(36)23-24(22-12-29-15-32(22)3)34(31-25(23)33(27(35)37)13-17-5-6-17)14-18-9-10-30-21-8-7-19(28)11-20(18)21/h1,7-12,15-17H,5-6,13-14H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	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