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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50043875   
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
Probable ubiquitin carboxyl-terminal hydrolase FAF-X


(Homo sapiens (Human))
BDBM50447833
PNG
(CHEMBL3114085)
Show SMILES Brc1cccc(\C=C(\C#N)C(=O)NCc2cccc(CNC(=O)C(=C/c3cccc(Br)n3)\C#N)c2)n1
Show InChI InChI=1S/C26H18Br2N6O2/c27-23-8-2-6-21(33-23)11-19(13-29)25(35)31-15-17-4-1-5-18(10-17)16-32-26(36)20(14-30)12-22-7-3-9-24(28)34-22/h1-12H,15-16H2,(H,31,35)(H,32,36)/b19-11-,20-12-
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-Smt3-fusion-tagged Usp9x catalytic domain expressed in Escherichia coli using Ub-AMC as substrate inc...


Bioorg Med Chem 22: 1450-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.048
BindingDB Entry DOI: 10.7270/Q2BP0499
More data for this
Ligand-Target Pair
Probable ubiquitin carboxyl-terminal hydrolase FAF-X


(Homo sapiens (Human))
BDBM50437695
PNG
(CHEMBL1923233)
Show SMILES CCC[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1 |r|
Show InChI InChI=1S/C19H18BrN3O/c1-2-7-17(14-8-4-3-5-9-14)23-19(24)15(13-21)12-16-10-6-11-18(20)22-16/h3-6,8-12,17H,2,7H2,1H3,(H,23,24)/b15-12+/t17-/m0/s1
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-Smt3-fusion-tagged Usp9x catalytic domain expressed in Escherichia coli using Ub-AMC as substrate inc...


Bioorg Med Chem 22: 1450-8 (2014)


Article DOI: 10.1016/j.bmc.2013.12.048
BindingDB Entry DOI: 10.7270/Q2BP0499
More data for this
Ligand-Target Pair