BDBM50421073 CHEMBL2087864

SMILES: Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C3CC3)c(=O)c12)C#N

InChI Key: InChIKey=BELQGGIEJIDIMD-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 = 50421073   

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)	BDBM50421073 (CHEMBL2087864) Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C3CC3)c(=O)c12)C#N |(33.45,-40.51,;34.95,-40.86,;36.11,-39.85,;37.43,-40.64,;37.09,-42.14,;35.55,-42.27,;34.76,-43.59,;35.66,-44.84,;37.2,-44.84,;37.97,-46.17,;37.2,-47.5,;37.97,-48.83,;39.51,-48.83,;40.28,-47.49,;41.8,-47.48,;42.56,-46.15,;41.79,-44.83,;42.55,-43.49,;40.26,-44.84,;39.51,-46.16,;34.76,-46.08,;33.29,-45.61,;31.96,-46.37,;31.96,-47.91,;30.63,-48.68,;29.09,-48.68,;29.86,-50.02,;30.63,-45.61,;29.3,-46.38,;30.63,-44.07,;29.3,-43.3,;28.52,-41.97,;27.75,-43.31,;31.96,-43.29,;31.96,-41.75,;33.29,-44.07,;38.85,-40.04,;40.26,-39.44,)| Show InChI InChI=1S/C28H24ClN7O2/c1-33-13-17(12-30)10-23(33)25-24-26(34(14-16-2-3-16)28(38)36(27(24)37)20-5-6-20)32-35(25)15-18-8-9-31-22-7-4-19(29)11-21(18)22/h4,7-11,13,16,20H,2-3,5-6,14-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	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