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BDBM51855 MLS001017289::N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide::N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide::N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide::N-[4-[[2-(diethylamino)ethylamino]-oxomethyl]phenyl]-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide::SMR000353502::cid_2329736

SMILES: CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1

InChI Key: InChIKey=CLEJNLVRUMTEIS-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

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 5 hits for monomerid = 51855   
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 kinase kinase kinase 2


(Homo sapiens (Human))
BDBM51855
PNG
(MLS001017289 | N-[4-[2-(diethylamino)ethylcarbamoy...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H29N5O2S/c1-3-31(4-2)17-16-28-26(33)20-12-14-21(15-13-20)29-27(34)23-19-32(22-9-6-5-7-10-22)30-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,33)(H,29,34)
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n/an/an/an/a 5.01E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM51855
PNG
(MLS001017289 | N-[4-[2-(diethylamino)ethylcarbamoy...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H29N5O2S/c1-3-31(4-2)17-16-28-26(33)20-12-14-21(15-13-20)29-27(34)23-19-32(22-9-6-5-7-10-22)30-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,33)(H,29,34)
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n/an/an/an/a 5.94E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM51855
PNG
(MLS001017289 | N-[4-[2-(diethylamino)ethylcarbamoy...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H29N5O2S/c1-3-31(4-2)17-16-28-26(33)20-12-14-21(15-13-20)29-27(34)23-19-32(22-9-6-5-7-10-22)30-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,33)(H,29,34)
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n/an/a 1.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM51855
PNG
(MLS001017289 | N-[4-[2-(diethylamino)ethylcarbamoy...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H29N5O2S/c1-3-31(4-2)17-16-28-26(33)20-12-14-21(15-13-20)29-27(34)23-19-32(22-9-6-5-7-10-22)30-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,33)(H,29,34)
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n/an/a 1.82E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM51855
PNG
(MLS001017289 | N-[4-[2-(diethylamino)ethylcarbamoy...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H29N5O2S/c1-3-31(4-2)17-16-28-26(33)20-12-14-21(15-13-20)29-27(34)23-19-32(22-9-6-5-7-10-22)30-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,33)(H,29,34)
PDB
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n/an/a>3.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair