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BDBM50412824 CHEMBL611766

SMILES: Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)C1CCCCC1

InChI Key: InChIKey=YPQFGJKEAGRQTN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50412824   
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)		BDBM50412824
PNG
(CHEMBL611766)
Show SMILES Nc1nc(nc2n(cnc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O)-n1cc(nn1)C1CCCCC1
Show InChI InChI=1S/C25H29N9O8S/c26-21-18-22(29-25(28-21)34-10-15(30-32-34)13-6-2-1-3-7-13)33(12-27-18)24-20(37)19(36)17(42-24)11-41-43(39,40)31-23(38)14-8-4-5-9-16(14)35/h4-5,8-10,12-13,17,19-20,24,35-37H,1-3,6-7,11H2,(H,31,38)(H2,26,28,29)
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.320n/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