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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'DNA repair protein REV1' and Ligand = 'BDBM50463105'   
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 repair protein REV1


(Homo sapiens)
BDBM50463105
PNG
(CHEMBL4244254)
Show SMILES COC(=O)c1cc(C)sc1NC(=O)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C15H20N2O4S/c1-9-8-12(15(20)21-3)14(22-9)16-13(19)11-4-6-17(7-5-11)10(2)18/h8,11H,4-7H2,1-3H3,(H,16,19)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
7.40E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463105
PNG
(CHEMBL4244254)
Show SMILES COC(=O)c1cc(C)sc1NC(=O)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C15H20N2O4S/c1-9-8-12(15(20)21-3)14(22-9)16-13(19)11-4-6-17(7-5-11)10(2)18/h8,11H,4-7H2,1-3H3,(H,16,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair
DNA repair protein REV1


(Homo sapiens)
BDBM50463105
PNG
(CHEMBL4244254)
Show SMILES COC(=O)c1cc(C)sc1NC(=O)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C15H20N2O4S/c1-9-8-12(15(20)21-3)14(22-9)16-13(19)11-4-6-17(7-5-11)10(2)18/h8,11H,4-7H2,1-3H3,(H,16,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 8.20E+3n/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(D...


Bioorg Med Chem 26: 4301-4309 (2018)


Article DOI: 10.1016/j.bmc.2018.07.029
BindingDB Entry DOI: 10.7270/Q2K93B5H
More data for this
Ligand-Target Pair