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BDBM90510 5-(3-chlorophenyl)-3-(1-hydroxy-3-keto-4H-1,2,4-benzotriazin-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester::5-(3-chlorophenyl)-3-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester::MLS000731523::SMR000309798::cid_16194069::ethyl 5-(3-chlorophenyl)-3-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-1H-pyrazole-4-carboxylate::ethyl 5-(3-chlorophenyl)-3-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-1H-pyrazole-4-carboxylate::ethyl 5-(3-chlorophenyl)-3-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-1H-pyrazole-4-carboxylate

SMILES: CCOC(=O)c1c(n[nH]c1N1N(O)c2ccccc2NC1=O)-c1cccc(Cl)c1

InChI Key: InChIKey=KUTODLLULAHZHD-UHFFFAOYSA-N

Data: 1 EC50

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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 1 hit for monomerid = 90510   
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))
BDBM90510
PNG
(5-(3-chlorophenyl)-3-(1-hydroxy-3-keto-4H-1,2,4-be...)
Show SMILES CCOC(=O)c1c(n[nH]c1N1N(O)c2ccccc2NC1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN5O4/c1-2-29-18(26)15-16(11-6-5-7-12(20)10-11)22-23-17(15)24-19(27)21-13-8-3-4-9-14(13)25(24)28/h3-10,28H,2H2,1H3,(H,21,27)(H,22,23)
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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