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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'BirA bifunctional protein' and Ligand = 'BDBM50119307'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BirA bifunctional protein


(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
BDBM50119307
PNG
(CHEMBL3613835)
Show SMILES CC[NH+](CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C20H27FN8O7S2.C6H15N/c21-13-16(31)10(36-19(13)29-8-25-15-17(22)23-7-24-18(15)29)5-35-38(33,34)28-12(30)4-2-1-3-11-14-9(6-37-11)26-20(32)27-14;1-4-7(5-2)6-3/h7-11,13-14,16,19,31H,1-6H2,(H5,22,23,24,26,27,28,30,32);4-6H2,1-3H3/t9-,10+,11-,13-,14-,16+,19+;/m0./s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.153n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis H37Rv Biotin protein ligase expressed in Escherichia coli by ITC analysis


J Med Chem 58: 7349-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00719
BindingDB Entry DOI: 10.7270/Q21J9CMG
More data for this
Ligand-Target Pair