BindingDB logo
myBDB logout

BDBM50497330 CHEMBL3183277

SMILES: CC(C)c1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2nc[nH]c2n1

InChI Key: InChIKey=CGSMWZPSTDEJQI-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50497330   
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
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM50497330
PNG
(CHEMBL3183277)
Show SMILES CC(C)c1ccccc1-c1nc(NCc2ccc(cc2)-c2cccnc2)c2nc[nH]c2n1
Show InChI InChI=1S/C26H24N6/c1-17(2)21-7-3-4-8-22(21)24-31-25(23-26(32-24)30-16-29-23)28-14-18-9-11-19(12-10-18)20-6-5-13-27-15-20/h3-13,15-17H,14H2,1-2H3,(H2,28,29,30,31,32)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/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