BDBM50261911 3-(3-chloro-5-(methylsulfonyl)furan-2-yl)-2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL469007

SMILES: Cn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3oc(cc3Cl)S(C)(=O)=O)c2c1=O

InChI Key: InChIKey=GBLUNAZCSSKSEV-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 = 50261911   

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)	BDBM50261911 (3-(3-chloro-5-(methylsulfonyl)furan-2-yl)-2-((6-ch...) Show SMILES Cn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3oc(cc3Cl)S(C)(=O)=O)c2c1=O |(15.9,-13.52,;17.24,-14.28,;17.24,-15.83,;15.9,-16.6,;18.57,-16.6,;18.57,-18.15,;17.23,-18.91,;15.7,-18.92,;16.46,-20.25,;19.92,-15.84,;21.39,-16.31,;22.3,-15.06,;23.85,-15.06,;24.62,-16.39,;23.84,-17.73,;24.61,-19.06,;26.16,-19.06,;26.92,-17.71,;28.46,-17.71,;29.22,-16.38,;28.44,-15.05,;29.2,-13.71,;26.91,-15.06,;26.15,-16.39,;21.39,-13.8,;21.86,-12.34,;23.33,-11.86,;23.32,-10.32,;21.86,-9.85,;20.96,-11.1,;19.42,-11.1,;24.57,-9.41,;25.89,-8.63,;23.72,-8.12,;25.42,-10.7,;19.92,-14.28,;18.57,-13.5,;18.57,-11.96,)| Show InChI InChI=1S/C25H21Cl2N5O5S/c1-30-24(33)20-21(22-17(27)10-19(37-22)38(2,35)36)32(29-23(20)31(25(30)34)11-13-3-4-13)12-14-7-8-28-18-6-5-15(26)9-16(14)18/h5-10,13H,3-4,11-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori MurI				Bioorg Med Chem Lett 18: 4716-22 (2008) Article DOI: 10.1016/j.bmcl.2008.06.092 BindingDB Entry DOI: 10.7270/Q2N29WSP
					More data for this Ligand-Target Pair