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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase A' and Ligand = 'BDBM50487370'   
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
DNA ligase A


(Mycobacterium tuberculosis)		BDBM50487370
PNG
(CHEMBL2259939)
Show SMILES CC1(C)O[C@H]2OC([C@@H](CCO)NCCCN[C@@H](CCO)C3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1 |r|
Show InChI InChI=1S/C37H54N2O10/c1-36(2)46-32-30(42-22-24-12-7-5-8-13-24)28(44-34(32)48-36)26(16-20-40)38-18-11-19-39-27(17-21-41)29-31(43-23-25-14-9-6-10-15-25)33-35(45-29)49-37(3,4)47-33/h5-10,12-15,26-35,38-41H,11,16-23H2,1-4H3/t26-,27+,28?,29?,30-,31-,32+,33+,34+,35+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.62E+4n/an/an/an/an/an/a



Central Drug Research Institute



Assay Description
All assays have been carried out using procedures previously described by our group (Srivastava et al., 2005a; 2005b; 2007)

Medicinal Chemistry Research 17: 189-198 (2008)


BindingDB Entry DOI: 10.7270/Q2PG1QB6
More data for this
Ligand-Target Pair