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BDBM42707 2-[[3-(1-ethyl-5-methyl-pyrazol-4-yl)-2-isoxazoline-5-carbonyl]amino]benzoic acid methyl ester::2-[[[3-(1-ethyl-5-methyl-4-pyrazolyl)-4,5-dihydroisoxazol-5-yl]-oxomethyl]amino]benzoic acid methyl ester::MLS000093168::SMR000028796::cid_3238045::methyl 2-({[3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazol-5-yl]carbonyl}amino)benzoate::methyl 2-[[3-(1-ethyl-5-methyl-pyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]carbonylamino]benzoate::methyl 2-[[3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]benzoate

SMILES: CCn1ncc(C2=NOC(C2)C(=O)Nc2ccccc2C(=O)OC)c1C

InChI Key: InChIKey=QXCMRVUGCPGZBQ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 42707   
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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42707
PNG
(2-[[3-(1-ethyl-5-methyl-pyrazol-4-yl)-2-isoxazolin...)
Show SMILES CCn1ncc(C2=NOC(C2)C(=O)Nc2ccccc2C(=O)OC)c1C |t:6|
Show InChI InChI=1S/C18H20N4O4/c1-4-22-11(2)13(10-19-22)15-9-16(26-21-15)17(23)20-14-8-6-5-7-12(14)18(24)25-3/h5-8,10,16H,4,9H2,1-3H3,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.82E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair