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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 352008   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
USP1/UAF1


(Homo sapiens (Human))
BDBM352008
PNG
(US9802904, 70)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NC(CO)c2cccc(C)c2)n1
Show InChI InChI=1S/C23H27N3O/c1-15(2)19-10-5-6-11-20(19)23-24-13-17(4)22(26-23)25-21(14-27)18-9-7-8-16(3)12-18/h5-13,15,21,27H,14H2,1-4H3,(H,24,25,26)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+3n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its ...


US Patent US9802904 (2017)


BindingDB Entry DOI: 10.7270/Q2TF00H8
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48


(Homo sapiens (Human))
BDBM352008
PNG
(US9802904, 70)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NC(CO)c2cccc(C)c2)n1
Show InChI InChI=1S/C23H27N3O/c1-15(2)19-10-5-6-11-20(19)23-24-13-17(4)22(26-23)25-21(14-27)18-9-7-8-16(3)12-18/h5-13,15,21,27H,14H2,1-4H3,(H,24,25,26)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+4n/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