BDBM50421068 CHEMBL2087859

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

InChI Key: InChIKey=ANZYTOJJWDWJOR-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 = 50421068   

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)	BDBM50421068 (CHEMBL2087859) Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC#CCO)c(=O)c12)C#N |(-5.1,-25.48,;-3.6,-25.83,;-2.44,-24.82,;-1.12,-25.61,;-1.46,-27.11,;-3,-27.24,;-3.79,-28.56,;-2.89,-29.81,;-1.35,-29.81,;-.58,-31.14,;-1.35,-32.47,;-.58,-33.8,;.96,-33.8,;1.73,-32.46,;3.25,-32.45,;4.01,-31.12,;3.24,-29.8,;3.99,-28.46,;1.71,-29.81,;.96,-31.13,;-3.79,-31.05,;-5.26,-30.58,;-6.59,-31.34,;-6.59,-32.88,;-7.92,-33.65,;-9.46,-33.66,;-8.69,-34.99,;-7.92,-30.58,;-9.25,-31.35,;-7.92,-29.04,;-9.25,-28.27,;-9.26,-26.73,;-9.27,-25.19,;-9.28,-23.65,;-7.96,-22.86,;-6.59,-28.26,;-6.59,-26.72,;-5.26,-29.04,;.3,-25.01,;1.71,-24.41,)| Show InChI InChI=1S/C29H24ClN7O3/c1-34-15-19(14-31)12-24(34)26-25-27(33-37(26)17-20-8-9-32-23-7-6-21(30)13-22(20)23)36(16-18-4-5-18)29(40)35(28(25)39)10-2-3-11-38/h6-9,12-13,15,18,38H,4-5,10-11,16-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	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
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