BDBM50262115 2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL469231

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

InChI Key: InChIKey=HTZVGKTYPBVWTE-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 = 50262115   

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)	BDBM50262115 (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)=O |(19.34,2.59,;20.88,2.59,;21.78,3.84,;23.24,3.37,;23.25,1.83,;21.78,1.35,;21.31,-.11,;22.22,-1.37,;23.76,-1.37,;24.53,-2.7,;23.91,-4.1,;25.06,-5.13,;26.39,-4.36,;27.85,-4.84,;28.99,-3.81,;28.66,-2.3,;29.81,-1.27,;27.21,-1.83,;26.07,-2.86,;21.31,-2.62,;19.84,-2.14,;18.5,-2.91,;18.49,-4.45,;17.16,-5.22,;15.62,-5.22,;16.39,-6.55,;17.16,-2.14,;15.83,-2.91,;17.16,-.59,;15.83,.18,;18.5,.19,;18.49,1.73,;19.84,-.59,;24.49,4.28,;25.73,5.19,;23.64,5.56,;25.34,2.99,)| Show InChI InChI=1S/C25H25ClN6O4S/c1-29-13-17(37(3,35)36)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	26	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