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BDBM50412825 CHEMBL609105

SMILES: Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)C1CCCC1

InChI Key: InChIKey=RRBSXVBEWIMXIL-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50412825   
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
2,3-dihydroxybenzoate-AMP ligase


(Mycobacterium tuberculosis)		BDBM50412825
PNG
(CHEMBL609105)
Show SMILES Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)C1CCCC1
Show InChI InChI=1S/C24H27N9O8S/c25-20-17-21(28-24(27-20)33-9-14(29-31-33)12-5-1-2-6-12)32(11-26-17)23-19(36)18(35)16(41-23)10-40-42(38,39)30-22(37)13-7-3-4-8-15(13)34/h3-4,7-9,11-12,16,18-19,23,34-36H,1-2,5-6,10H2,(H,30,37)(H2,25,27,28)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.540n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis MbtA expressed in Escherichia coli assessed as ATP-[32P]Ppi exchange

J Med Chem 51: 7495-507 (2009)


Article DOI: 10.1021/jm8008037
BindingDB Entry DOI: 10.7270/Q2HH6M96
More data for this
Ligand-Target Pair