Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA ligase A' and Ligand = 'BDBM22981'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
DNA ligase A (Mycobacterium tuberculosis)	BDBM22981 (Glycosyl Ureides, 3a | ethyl 3-[(3aS,6R,6aS)-6-(be...) Show SMILES CCOC(=O)CC(C1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H37ClN2O7/c1-4-39-27(37)19-26(36(20-22-11-7-5-8-12-22)32(38)35-25-17-15-24(34)16-18-25)28-29(40-21-23-13-9-6-10-14-23)30-31(41-28)43-33(2,3)42-30/h5-18,26,28-31H,4,19-21H2,1-3H3,(H,35,38)/t26?,28?,29-,30+,31+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	9.65E+3	n/a	n/a	n/a	n/a	n/a	n/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
DNA ligase A (Mycobacterium tuberculosis)	BDBM22981 (Glycosyl Ureides, 3a | ethyl 3-[(3aS,6R,6aS)-6-(be...) Show SMILES CCOC(=O)CC(C1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C33H37ClN2O7/c1-4-39-27(37)19-26(36(20-22-11-7-5-8-12-22)32(38)35-25-17-15-24(34)16-18-25)28-29(40-21-23-13-9-6-10-14-23)30-31(41-28)43-33(2,3)42-30/h5-18,26,28-31H,4,19-21H2,1-3H3,(H,35,38)/t26?,28?,29-,30+,31+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.65E+3	n/a	n/a	n/a	n/a	8.0	25
India Central Drug Research Institute					Assay Description The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...				J Biol Chem 280: 30273-81 (2005) Article DOI: 10.1074/jbc.M503780200 BindingDB Entry DOI: 10.7270/Q2SX6BGR
					More data for this Ligand-Target Pair