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BDBM62193 (phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(4-methylphenyl)carbamothioylamino]ethyl]carbamate::MLS-0425694.0001::N-[2,2,2-trichloro-1-(p-tolylthiocarbamoylamino)ethyl]carbamic acid benzyl ester::N-[2,2,2-trichloro-1-[[(4-methylanilino)-sulfanylidenemethyl]amino]ethyl]carbamic acid (phenylmethyl) ester::benzyl N-[2,2,2-trichloro-1-[(4-methylphenyl)carbamothioylamino]ethyl]carbamate::cid_3091257

SMILES: Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1

InChI Key: InChIKey=FCWNHTBGFOOASZ-UHFFFAOYSA-N

Data: 4 IC50  3 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 7 hits for monomerid = 62193   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM62193
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(4-meth...)
Show SMILES Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C18H18Cl3N3O2S/c1-12-7-9-14(10-8-12)22-16(27)23-15(18(19,20)21)24-17(25)26-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,24,25)(H2,22,23,27)
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n/an/a 1.00E+4n/an/an/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 (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM62193
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(4-meth...)
Show SMILES Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C18H18Cl3N3O2S/c1-12-7-9-14(10-8-12)22-16(27)23-15(18(19,20)21)24-17(25)26-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,24,25)(H2,22,23,27)
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n/an/a>3.20E+4n/an/an/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 (2010)


BindingDB Entry DOI: 10.7270/Q2G44NRK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM62193
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(4-meth...)
Show SMILES Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C18H18Cl3N3O2S/c1-12-7-9-14(10-8-12)22-16(27)23-15(18(19,20)21)24-17(25)26-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,24,25)(H2,22,23,27)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25T3HZB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM62193
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(4-meth...)
Show SMILES Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C18H18Cl3N3O2S/c1-12-7-9-14(10-8-12)22-16(27)23-15(18(19,20)21)24-17(25)26-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,24,25)(H2,22,23,27)
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n/an/an/an/a>3.20E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2125R3Z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM62193
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(4-meth...)
Show SMILES Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C18H18Cl3N3O2S/c1-12-7-9-14(10-8-12)22-16(27)23-15(18(19,20)21)24-17(25)26-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,24,25)(H2,22,23,27)
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n/an/a 3.20E+4n/an/an/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 (2010)


BindingDB Entry DOI: 10.7270/Q28K77JP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM62193
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(4-meth...)
Show SMILES Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C18H18Cl3N3O2S/c1-12-7-9-14(10-8-12)22-16(27)23-15(18(19,20)21)24-17(25)26-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,24,25)(H2,22,23,27)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM62193
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(4-meth...)
Show SMILES Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C18H18Cl3N3O2S/c1-12-7-9-14(10-8-12)22-16(27)23-15(18(19,20)21)24-17(25)26-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,24,25)(H2,22,23,27)
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n/an/an/an/a>3.20E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SBF
More data for this
Ligand-Target Pair