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BDBM50262163 2-((5-chloro-1-methyl-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::CHEMBL513872

SMILES: Cn1cc(cc1-c1n(Cc2cn(C)c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O

InChI Key: InChIKey=AWTRBCCCJSATFT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50262163   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Glutamate racemase


(Helicobacter pylori)		BDBM50262163
PNG
(2-((5-chloro-1-methyl-1H-indol-3-yl)methyl)-7-(cyc...)
Show SMILES Cn1cc(cc1-c1n(Cc2cn(C)c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O |(-3.41,-16.12,;-1.87,-16.12,;-.98,-14.87,;.49,-15.34,;.49,-16.88,;-.97,-17.36,;-1.44,-18.82,;-.53,-20.08,;1.01,-20.08,;1.78,-21.41,;1.16,-22.81,;2.3,-23.84,;2.14,-25.38,;3.63,-23.07,;5.09,-23.55,;6.23,-22.52,;5.91,-21.01,;7.05,-19.98,;4.45,-20.54,;3.31,-21.57,;-1.44,-21.33,;-2.92,-20.85,;-4.26,-21.62,;-4.26,-23.16,;-5.6,-23.93,;-7.14,-23.93,;-6.37,-25.27,;-5.6,-20.85,;-6.93,-21.62,;-5.6,-19.3,;-6.93,-18.54,;-4.26,-18.52,;-4.26,-16.98,;-2.92,-19.3,;1.73,-14.44,;2.97,-13.53,;.88,-13.15,;2.58,-15.72,)|
Show InChI InChI=1S/C26H27ClN6O4S/c1-29-12-16(19-9-17(27)7-8-20(19)29)13-33-23(21-10-18(14-30(21)2)38(4,36)37)22-24(28-33)32(11-15-5-6-15)26(35)31(3)25(22)34/h7-10,12,14-15H,5-6,11,13H2,1-4H3
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KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 33n/an/an/an/an/an/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