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SMILES: CCC[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1

InChI Key: InChIKey=LIDOPKHSVQTSJY-VMEIHUARSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50437695   
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 isozyme L1


(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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MCE
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UniChem
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n/an/a 3.00E+3n/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Inhibition of UCH-L1 in human Z138 cells after 1 hr by immunoblotting analysis


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
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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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
Ubiquitin carboxyl-terminal hydrolase 5


(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 3.00E+3n/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Inhibition of USP5 in human Z138 cells after 1 hr by immunoblotting analysis


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
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
PDB

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Tokyo University of Agriculture

Curated by ChEMBL


Assay Description
Inhibition of USP9x in human Z138 cells after 1 hr by immunoblotting analysis


Bioorg Med Chem Lett 23: 4328-31 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.093
BindingDB Entry DOI: 10.7270/Q2T15528
More data for this
Ligand-Target Pair