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BDBM42425 MLS000519757::N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(2-furfuryl)pyrazinamide::N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide::N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(2-furanylmethyl)-2-pyrazinecarboxamide::SMR000130175::cid_4098324

SMILES: O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1

InChI Key: InChIKey=JWGUDDMHZNCSGD-UHFFFAOYSA-N

Data: 2 IC50  6 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 8 hits for monomerid = 42425   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42425
PNG
(MLS000519757 | N-[1-(cyclohexylcarbamoyl)cyclohexy...)
Show SMILES O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
Show InChI InChI=1S/C23H30N4O3/c28-21(20-16-24-13-14-25-20)27(17-19-10-7-15-30-19)23(11-5-2-6-12-23)22(29)26-18-8-3-1-4-9-18/h7,10,13-16,18H,1-6,8-9,11-12,17H2,(H,26,29)
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n/an/a>3.50E+4n/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/Q2ZS2TWK
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42425
PNG
(MLS000519757 | N-[1-(cyclohexylcarbamoyl)cyclohexy...)
Show SMILES O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
Show InChI InChI=1S/C23H30N4O3/c28-21(20-16-24-13-14-25-20)27(17-19-10-7-15-30-19)23(11-5-2-6-12-23)22(29)26-18-8-3-1-4-9-18/h7,10,13-16,18H,1-6,8-9,11-12,17H2,(H,26,29)
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n/an/a>3.50E+4n/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/Q2V1235Z
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens (Human))
BDBM42425
PNG
(MLS000519757 | N-[1-(cyclohexylcarbamoyl)cyclohexy...)
Show SMILES O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
Show InChI InChI=1S/C23H30N4O3/c28-21(20-16-24-13-14-25-20)27(17-19-10-7-15-30-19)23(11-5-2-6-12-23)22(29)26-18-8-3-1-4-9-18/h7,10,13-16,18H,1-6,8-9,11-12,17H2,(H,26,29)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PV6HS7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM42425
PNG
(MLS000519757 | N-[1-(cyclohexylcarbamoyl)cyclohexy...)
Show SMILES O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
Show InChI InChI=1S/C23H30N4O3/c28-21(20-16-24-13-14-25-20)27(17-19-10-7-15-30-19)23(11-5-2-6-12-23)22(29)26-18-8-3-1-4-9-18/h7,10,13-16,18H,1-6,8-9,11-12,17H2,(H,26,29)
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n/an/an/an/a 1.32E+3n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2MG7MZP
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM42425
PNG
(MLS000519757 | N-[1-(cyclohexylcarbamoyl)cyclohexy...)
Show SMILES O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
Show InChI InChI=1S/C23H30N4O3/c28-21(20-16-24-13-14-25-20)27(17-19-10-7-15-30-19)23(11-5-2-6-12-23)22(29)26-18-8-3-1-4-9-18/h7,10,13-16,18H,1-6,8-9,11-12,17H2,(H,26,29)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM42425
PNG
(MLS000519757 | N-[1-(cyclohexylcarbamoyl)cyclohexy...)
Show SMILES O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
Show InChI InChI=1S/C23H30N4O3/c28-21(20-16-24-13-14-25-20)27(17-19-10-7-15-30-19)23(11-5-2-6-12-23)22(29)26-18-8-3-1-4-9-18/h7,10,13-16,18H,1-6,8-9,11-12,17H2,(H,26,29)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TM78JD
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM42425
PNG
(MLS000519757 | N-[1-(cyclohexylcarbamoyl)cyclohexy...)
Show SMILES O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
Show InChI InChI=1S/C23H30N4O3/c28-21(20-16-24-13-14-25-20)27(17-19-10-7-15-30-19)23(11-5-2-6-12-23)22(29)26-18-8-3-1-4-9-18/h7,10,13-16,18H,1-6,8-9,11-12,17H2,(H,26,29)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM42425
PNG
(MLS000519757 | N-[1-(cyclohexylcarbamoyl)cyclohexy...)
Show SMILES O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
Show InChI InChI=1S/C23H30N4O3/c28-21(20-16-24-13-14-25-20)27(17-19-10-7-15-30-19)23(11-5-2-6-12-23)22(29)26-18-8-3-1-4-9-18/h7,10,13-16,18H,1-6,8-9,11-12,17H2,(H,26,29)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2K35S27
More data for this
Ligand-Target Pair