BDBM50421044 CHEMBL2087622

SMILES: Cc1cc(oc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N

InChI Key: InChIKey=FRFCDEBBPKANHV-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 = 50421044   

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)	BDBM50421044 (CHEMBL2087622) Show SMILES Cc1cc(oc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N |(31.68,-12.9,;33.19,-13.24,;34.35,-12.23,;35.67,-13.02,;35.32,-14.53,;33.79,-14.66,;32.99,-15.98,;33.9,-17.22,;35.44,-17.22,;36.21,-18.56,;35.43,-19.89,;36.2,-21.22,;37.75,-21.22,;38.51,-19.87,;40.04,-19.87,;40.8,-18.54,;40.02,-17.21,;40.78,-15.87,;38.49,-17.23,;37.74,-18.55,;32.99,-18.47,;31.52,-17.99,;30.19,-18.75,;30.19,-20.29,;28.86,-21.06,;27.32,-21.07,;28.09,-22.4,;28.87,-17.99,;27.53,-18.76,;28.87,-16.45,;27.53,-15.69,;30.19,-15.67,;30.19,-14.13,;31.52,-16.45,;37.08,-12.42,;38.5,-11.82,)| Show InChI InChI=1S/C26H21ClN6O3/c1-14-9-18(11-28)36-23(14)22-21-24(32(12-15-3-4-15)26(35)31(2)25(21)34)30-33(22)13-16-7-8-29-20-6-5-17(27)10-19(16)20/h5-10,15H,3-4,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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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