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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for UniProtKB: P49916   
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
DNA ligase 3


(Homo sapiens)
BDBM50509110
PNG
(CHEMBL4458668)
Show SMILES Nc1nc(S)nc(O)c1\N=C\c1ccccc1
Show InChI InChI=1S/C11H10N4OS/c12-9-8(10(16)15-11(17)14-9)13-6-7-4-2-1-3-5-7/h1-6H,(H4,12,14,15,16,17)/b13-6+
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



University of Allahabad

Curated by ChEMBL


Assay Description
Competitive inhibition of human DNA ligase 3 using nicked DNA as substrate by high-throughput fluorescence energy transfer-based DNA joining assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111657
BindingDB Entry DOI: 10.7270/Q2RN3C6C
More data for this
Ligand-Target Pair
DNA ligase 3


(Homo sapiens)
BDBM50509109
PNG
(CHEMBL4461698)
Show SMILES Cc1c(Br)cc(NCC(=O)N\N=C\c2cc(ccc2O)[N+]([O-])=O)cc1Br
Show InChI InChI=1S/C16H14Br2N4O4/c1-9-13(17)5-11(6-14(9)18)19-8-16(24)21-20-7-10-4-12(22(25)26)2-3-15(10)23/h2-7,19,23H,8H2,1H3,(H,21,24)/b20-7+
PDB

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KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Allahabad

Curated by ChEMBL


Assay Description
Competitive inhibition of human DNA ligase 3 using nicked DNA as substrate by high-throughput fluorescence energy transfer-based DNA joining assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111657
BindingDB Entry DOI: 10.7270/Q2RN3C6C
More data for this
Ligand-Target Pair