BDBM50421085 CHEMBL2088120

SMILES: CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3cncn3C)c2c(=O)n(C)c1=O

InChI Key: InChIKey=QJBUEINIMXZUED-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50421085   

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)	BDBM50421085 (CHEMBL2088120) Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3cncn3C)c2c(=O)n(C)c1=O |(10.35,-3,;11.12,-1.67,;10.35,-.34,;12.66,-1.67,;13.43,-.33,;14.97,-.33,;16,-1.47,;17.41,-.84,;18.74,-1.6,;18.75,-3.14,;17.42,-3.91,;17.42,-5.46,;18.75,-6.23,;20.09,-5.45,;21.42,-6.22,;22.76,-5.44,;22.75,-3.89,;21.41,-3.13,;20.08,-3.91,;17.24,.69,;18.46,1.62,;19.94,1.17,;20.82,2.43,;19.9,3.66,;18.44,3.16,;17.18,4.05,;15.73,1.01,;14.97,2.33,;15.74,3.66,;13.43,2.34,;12.67,3.67,;12.66,1,;11.12,1.01,)| Show InChI InChI=1S/C25H26N6O2/c1-16(2)13-30-23-21(24(32)29(4)25(30)33)22(20-12-26-15-28(20)3)31(27-23)14-18-10-7-9-17-8-5-6-11-19(17)18/h5-12,15-16H,13-14H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	120	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				3D Structure (crystal)