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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 = 'BDBM50463123'   
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)
BDBM50463123
PNG
(CHEMBL4239688)
Show SMILES Cc1cccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1C
Show InChI InChI=1S/C20H24FN3O/c1-15-4-3-5-19(16(15)2)24-12-10-23(11-13-24)14-20(25)22-18-8-6-17(21)7-9-18/h3-9H,10-14H2,1-2H3,(H,22,25)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
1.48E+4n/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)
BDBM50463123
PNG
(CHEMBL4239688)
Show SMILES Cc1cccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1C
Show InChI InChI=1S/C20H24FN3O/c1-15-4-3-5-19(16(15)2)24-12-10-23(11-13-24)14-20(25)22-18-8-6-17(21)7-9-18/h3-9H,10-14H2,1-2H3,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.11E+4n/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)
BDBM50463123
PNG
(CHEMBL4239688)
Show SMILES Cc1cccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1C
Show InChI InChI=1S/C20H24FN3O/c1-15-4-3-5-19(16(15)2)24-12-10-23(11-13-24)14-20(25)22-18-8-6-17(21)7-9-18/h3-9H,10-14H2,1-2H3,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.24E+4n/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