BDBM50421082 CHEMBL2088117

SMILES: CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3nc(cn3C)C#N)c2c1=O

InChI Key: InChIKey=GYLHDFPDIAGLGQ-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 = 50421082   

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)	BDBM50421082 (CHEMBL2088117) Show SMILES CCn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3nc(cn3C)C#N)c2c1=O |(-8.79,-41.77,;-8.79,-43.31,;-7.45,-44.08,;-7.45,-45.62,;-8.78,-46.39,;-6.12,-46.38,;-6.12,-47.92,;-7.46,-48.69,;-9,-48.7,;-8.23,-50.03,;-4.79,-45.62,;-3.33,-46.1,;-2.42,-44.85,;-.88,-44.85,;-.11,-46.19,;-.88,-47.51,;-.11,-48.85,;1.43,-48.85,;2.19,-47.5,;3.72,-47.49,;4.48,-46.17,;3.7,-44.84,;4.46,-43.5,;2.18,-44.86,;1.43,-46.18,;-3.33,-43.6,;-2.53,-42.29,;-1,-42.15,;-.65,-40.65,;-1.97,-39.86,;-3.13,-40.87,;-4.63,-40.52,;.76,-40.05,;2.18,-39.45,;-4.79,-44.08,;-6.12,-43.3,;-6.12,-41.76,)| Show InChI InChI=1S/C26H23ClN8O2/c1-3-33-25(36)21-22(24-30-18(11-28)14-32(24)2)35(31-23(21)34(26(33)37)12-15-4-5-15)13-16-8-9-29-20-7-6-17(27)10-19(16)20/h6-10,14-15H,3-5,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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