BDBM50421071 CHEMBL2087862

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

InChI Key: InChIKey=HHATUHUHHIRCFI-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 = 50421071   

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)	BDBM50421071 (CHEMBL2087862) Show SMILES Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(CC=C)c(=O)c12)C#N |(-4.42,-41.12,;-2.92,-41.47,;-1.76,-40.46,;-.44,-41.25,;-.79,-42.75,;-2.32,-42.89,;-3.12,-44.2,;-2.21,-45.45,;-.67,-45.45,;.1,-46.78,;-.67,-48.11,;.1,-49.45,;1.64,-49.45,;2.4,-48.1,;3.93,-48.09,;4.69,-46.77,;3.91,-45.44,;4.67,-44.1,;2.39,-45.45,;1.64,-46.78,;-3.12,-46.7,;-4.58,-46.22,;-5.91,-46.98,;-5.91,-48.52,;-7.25,-49.29,;-8.79,-49.3,;-8.02,-50.63,;-7.24,-46.22,;-8.57,-46.99,;-7.24,-44.68,;-8.58,-43.91,;-8.58,-42.37,;-9.92,-41.61,;-5.91,-43.9,;-5.91,-42.36,;-4.58,-44.68,;.97,-40.65,;2.39,-40.05,)| Show InChI InChI=1S/C28H24ClN7O2/c1-3-10-34-27(37)24-25(23-11-18(13-30)14-33(23)2)36(32-26(24)35(28(34)38)15-17-4-5-17)16-19-8-9-31-22-7-6-20(29)12-21(19)22/h3,6-9,11-12,14,17H,1,4-5,10,15-16H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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