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BDBM50412835 CHEMBL612051

SMILES: CCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1

InChI Key: InChIKey=KFZKSTNHOKKOFU-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50412835   
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)		BDBM50412835
PNG
(CHEMBL612051)
Show SMILES CCCCc1cn(nn1)-c1nc(N)c2ncn(C3OC(COS(=O)(=O)NC(=O)c4ccccc4O)C(O)C3O)c2n1
Show InChI InChI=1S/C23H27N9O8S/c1-2-3-6-12-9-32(30-28-12)23-26-19(24)16-20(27-23)31(11-25-16)22-18(35)17(34)15(40-22)10-39-41(37,38)29-21(36)13-7-4-5-8-14(13)33/h4-5,7-9,11,15,17-18,22,33-35H,2-3,6,10H2,1H3,(H,29,36)(H2,24,26,27)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.90n/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