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BDBM62179 1-(4-chlorophenyl)-2-[[4-(2-furanylmethyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone::1-(4-chlorophenyl)-2-[[4-(2-furfuryl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone::1-(4-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone::MLS-0058737.0001::cid_662845

SMILES: Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1

InChI Key: InChIKey=DMVRJTGKMZVVHI-UHFFFAOYSA-N

Data: 3 IC50  4 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 = 62179   
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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM62179
PNG
(1-(4-chlorophenyl)-2-[[4-(2-furanylmethyl)-5-(2-py...)
Show SMILES Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C20H15ClN4O2S/c21-15-8-6-14(7-9-15)18(26)13-28-20-24-23-19(17-5-1-2-10-22-17)25(20)12-16-4-3-11-27-16/h1-11H,12-13H2
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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))
BDBM62179
PNG
(1-(4-chlorophenyl)-2-[[4-(2-furanylmethyl)-5-(2-py...)
Show SMILES Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C20H15ClN4O2S/c21-15-8-6-14(7-9-15)18(26)13-28-20-24-23-19(17-5-1-2-10-22-17)25(20)12-16-4-3-11-27-16/h1-11H,12-13H2
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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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM62179
PNG
(1-(4-chlorophenyl)-2-[[4-(2-furanylmethyl)-5-(2-py...)
Show SMILES Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C20H15ClN4O2S/c21-15-8-6-14(7-9-15)18(26)13-28-20-24-23-19(17-5-1-2-10-22-17)25(20)12-16-4-3-11-27-16/h1-11H,12-13H2
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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))
BDBM62179
PNG
(1-(4-chlorophenyl)-2-[[4-(2-furanylmethyl)-5-(2-py...)
Show SMILES Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C20H15ClN4O2S/c21-15-8-6-14(7-9-15)18(26)13-28-20-24-23-19(17-5-1-2-10-22-17)25(20)12-16-4-3-11-27-16/h1-11H,12-13H2
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n/an/an/an/a 1.00E+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: 10.1016/j.bioorg.2014.05.003
BindingDB Entry DOI: 10.7270/Q2N014Z3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM62179
PNG
(1-(4-chlorophenyl)-2-[[4-(2-furanylmethyl)-5-(2-py...)
Show SMILES Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C20H15ClN4O2S/c21-15-8-6-14(7-9-15)18(26)13-28-20-24-23-19(17-5-1-2-10-22-17)25(20)12-16-4-3-11-27-16/h1-11H,12-13H2
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n/an/an/an/a 7.66E+3n/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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM62179
PNG
(1-(4-chlorophenyl)-2-[[4-(2-furanylmethyl)-5-(2-py...)
Show SMILES Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C20H15ClN4O2S/c21-15-8-6-14(7-9-15)18(26)13-28-20-24-23-19(17-5-1-2-10-22-17)25(20)12-16-4-3-11-27-16/h1-11H,12-13H2
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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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM62179
PNG
(1-(4-chlorophenyl)-2-[[4-(2-furanylmethyl)-5-(2-py...)
Show SMILES Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C20H15ClN4O2S/c21-15-8-6-14(7-9-15)18(26)13-28-20-24-23-19(17-5-1-2-10-22-17)25(20)12-16-4-3-11-27-16/h1-11H,12-13H2
PDB

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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