BDBM50262113 2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfinyl)-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL469065

SMILES: Cn1cc(cc1-c1n(Cc2c[nH]c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)=O

InChI Key: InChIKey=ZPFIHEYGLZTEPN-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 = 50262113   

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)	BDBM50262113 (2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylm...) Show SMILES Cn1cc(cc1-c1n(Cc2c[nH]c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)=O |(20.02,-45.88,;21.56,-45.88,;22.46,-44.63,;23.92,-45.1,;23.92,-46.64,;22.46,-47.12,;21.99,-48.58,;22.9,-49.83,;24.44,-49.83,;25.21,-51.17,;24.59,-52.57,;25.74,-53.6,;27.06,-52.83,;28.52,-53.3,;29.67,-52.28,;29.34,-50.77,;30.48,-49.74,;27.88,-50.3,;26.75,-51.33,;21.99,-51.09,;20.51,-50.61,;19.17,-51.38,;19.17,-52.92,;17.83,-53.68,;16.3,-53.69,;17.07,-55.02,;17.84,-50.61,;16.51,-51.38,;17.84,-49.06,;16.5,-48.29,;19.17,-48.28,;19.17,-46.74,;20.51,-49.06,;25.16,-44.19,;25.15,-42.65,;26.57,-44.81,)| Show InChI InChI=1S/C25H25ClN6O3S/c1-29-13-17(36(3)35)9-20(29)22-21-23(31(11-14-4-5-14)25(34)30(2)24(21)33)28-32(22)12-15-10-27-19-7-6-16(26)8-18(15)19/h6-10,13-14,27H,4-5,11-12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	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