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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA polymerase kappa' and Ligand = 'BDBM50191327'   
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 polymerase kappa


(Homo sapiens (Human))
BDBM50191327
PNG
(CHEMBL3960997)
Show SMILES CC(C)c1ccc2C(Cc3ccc(Cl)cc3)C(CC(C)(C)C(O)=O)C(SC(C)(C)C)c2c1
Show InChI InChI=1S/C28H37ClO2S/c1-17(2)19-10-13-21-22(14-18-8-11-20(29)12-9-18)24(16-28(6,7)26(30)31)25(23(21)15-19)32-27(3,4)5/h8-13,15,17,22,24-25H,14,16H2,1-7H3,(H,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



University of Connecticut Health Center

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase kappa (19 to 526 residues)-mediated TLS past acrolein derived ring-opened reduced form of gamma-HOPdG lesions prei...


J Med Chem 59: 9321-9336 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC84TJ
More data for this
Ligand-Target Pair
DNA polymerase kappa


(Homo sapiens (Human))
BDBM50191327
PNG
(CHEMBL3960997)
Show SMILES CC(C)c1ccc2C(Cc3ccc(Cl)cc3)C(CC(C)(C)C(O)=O)C(SC(C)(C)C)c2c1
Show InChI InChI=1S/C28H37ClO2S/c1-17(2)19-10-13-21-22(14-18-8-11-20(29)12-9-18)24(16-28(6,7)26(30)31)25(23(21)15-19)32-27(3,4)5/h8-13,15,17,22,24-25H,14,16H2,1-7H3,(H,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



University of Connecticut Health Center

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase kappa (19 to 526 residues) preincubated for 15 mins followed by replicating non-damaged DNA substrate addition mea...


J Med Chem 59: 9321-9336 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC84TJ
More data for this
Ligand-Target Pair