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BDBM91156 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]hydrazo]ethyl] ester::4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-[N'-(2-thenoyl)hydrazino]ethyl] ester::MLS001077444::SMR000706552::[2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 4-(2-cyanoethanoylamino)benzoate::[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-[(2-cyanoacetyl)amino]benzoate::cid_8850233

SMILES: O=C(COC(=O)c1ccc(NC(=O)CC#N)cc1)NNC(=O)c1cccs1

InChI Key: InChIKey=JTPDGOVBPGIHLP-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 91156   
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
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM91156
PNG
(4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2...)
Show SMILES O=C(COC(=O)c1ccc(NC(=O)CC#N)cc1)NNC(=O)c1cccs1
Show InChI InChI=1S/C17H14N4O5S/c18-8-7-14(22)19-12-5-3-11(4-6-12)17(25)26-10-15(23)20-21-16(24)13-2-1-9-27-13/h1-6,9H,7,10H2,(H,19,22)(H,20,23)(H,21,24)
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a>5.30E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair