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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'WD repeat-containing protein 48' and Ligand = 'BDBM50497316'   
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
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497316
PNG
(CHEMBL3356517)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NC(C)(C)c2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C25H28N6/c1-17(2)21-8-6-7-9-22(21)24-26-16-18(3)23(28-24)29-25(4,5)19-10-12-20(13-11-19)31-15-14-27-30-31/h6-17H,1-5H3,(H,26,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair
WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497316
PNG
(CHEMBL3356517)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NC(C)(C)c2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C25H28N6/c1-17(2)21-8-6-7-9-22(21)24-26-16-18(3)23(28-24)29-25(4,5)19-10-12-20(13-11-19)31-15-14-27-30-31/h6-17H,1-5H3,(H,26,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 760n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay


J Med Chem 57: 8099-110 (2014)


Article DOI: 10.1021/jm5010495
BindingDB Entry DOI: 10.7270/Q24X5BSH
More data for this
Ligand-Target Pair