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BDBM62190 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-(3-fluoroanilino)-2-keto-ethyl]-N-methyl-benzamide::4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide::4-[[(4-ethanoylphenyl)sulfonylamino]methyl]-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide::MLS-0332830.0001::cid_16295215

SMILES: CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1

InChI Key: InChIKey=FNOAKXRMWVJFTB-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 = 62190   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM62190
PNG
(4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-(3-...)
Show SMILES CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C25H24FN3O5S/c1-17(30)19-10-12-23(13-11-19)35(33,34)27-15-18-6-8-20(9-7-18)25(32)29(2)16-24(31)28-22-5-3-4-21(26)14-22/h3-14,27H,15-16H2,1-2H3,(H,28,31)
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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))
BDBM62190
PNG
(4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-(3-...)
Show SMILES CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C25H24FN3O5S/c1-17(30)19-10-12-23(13-11-19)35(33,34)27-15-18-6-8-20(9-7-18)25(32)29(2)16-24(31)28-22-5-3-4-21(26)14-22/h3-14,27H,15-16H2,1-2H3,(H,28,31)
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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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM62190
PNG
(4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-(3-...)
Show SMILES CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C25H24FN3O5S/c1-17(30)19-10-12-23(13-11-19)35(33,34)27-15-18-6-8-20(9-7-18)25(32)29(2)16-24(31)28-22-5-3-4-21(26)14-22/h3-14,27H,15-16H2,1-2H3,(H,28,31)
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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)


Article DOI: 10.1021/cb500177c
BindingDB Entry DOI: 10.7270/Q2NS0SBF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM62190
PNG
(4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-(3-...)
Show SMILES CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C25H24FN3O5S/c1-17(30)19-10-12-23(13-11-19)35(33,34)27-15-18-6-8-20(9-7-18)25(32)29(2)16-24(31)28-22-5-3-4-21(26)14-22/h3-14,27H,15-16H2,1-2H3,(H,28,31)
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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)


Article DOI: 10.1016/j.chembiol.2013.07.014
BindingDB Entry DOI: 10.7270/Q2H70D7S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM62190
PNG
(4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-(3-...)
Show SMILES CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C25H24FN3O5S/c1-17(30)19-10-12-23(13-11-19)35(33,34)27-15-18-6-8-20(9-7-18)25(32)29(2)16-24(31)28-22-5-3-4-21(26)14-22/h3-14,27H,15-16H2,1-2H3,(H,28,31)
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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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM62190
PNG
(4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-(3-...)
Show SMILES CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C25H24FN3O5S/c1-17(30)19-10-12-23(13-11-19)35(33,34)27-15-18-6-8-20(9-7-18)25(32)29(2)16-24(31)28-22-5-3-4-21(26)14-22/h3-14,27H,15-16H2,1-2H3,(H,28,31)
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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))
BDBM62190
PNG
(4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-(3-...)
Show SMILES CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C25H24FN3O5S/c1-17(30)19-10-12-23(13-11-19)35(33,34)27-15-18-6-8-20(9-7-18)25(32)29(2)16-24(31)28-22-5-3-4-21(26)14-22/h3-14,27H,15-16H2,1-2H3,(H,28,31)
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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