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SMILES: Brc1cccc(\C=C(\C#N)C(=O)NCc2cccc(CNC(=O)C(=C/c3cccc(Br)n3)\C#N)c2)n1

InChI Key: InChIKey=OTSJSSHNIUCAGH-YZLQMOBTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50447833   
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
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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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