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BDBM50023629 CHEMBL3341861

SMILES: Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1

InChI Key: InChIKey=HDAYFSFWIPRJSO-UHFFFAOYSA-N

Data: 1 KI  34 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 39 hits for monomerid = 50023629   
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 2


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO-K1 cell membranes after 1.5 hrs by liquid scintillation counting assay


Bioorg Med Chem 25: 6427-6434 (2017)


Article DOI: 10.1016/j.bmc.2017.10.015
BindingDB Entry DOI: 10.7270/Q2028V4G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 288n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes assessed as suppression of 100 nM CP55,940-induced [35S]GTPgammaS binding...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/an/an/a 167n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 89n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of CB1 receptor in CD-1 mouse cerebellar membranes assessed as inhibition of CP55,940-induced [35S]GTPgammaS binding after 60 m...


J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 42n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of CB1 receptor in rat cerebellar membranes assessed as inhibition of CP55,940-induced [35S]GTPgammaS binding


J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of human CB1 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of CP55,940-induced calcium mobiliza...


J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of CP55,940-induced calcium mobilizati...


J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 230n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human CB1 receptor expressed in HEK293 cells assessed as inhibition of 33 nM CP55,940-induced SRE transcriptional a...


Bioorg Med Chem 25: 6427-6434 (2017)


Article DOI: 10.1016/j.bmc.2017.10.015
BindingDB Entry DOI: 10.7270/Q2028V4G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/an/an/a 270n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CB1 receptor expressed in CHO-K1 cell membranes assessed as induction of [3H]CP55,940 binding after 1.5 hrs b...


Bioorg Med Chem 25: 6427-6434 (2017)


Article DOI: 10.1016/j.bmc.2017.10.015
BindingDB Entry DOI: 10.7270/Q2028V4G
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of FAAH in human U937 cell homogenate assessed as decrease in [ethanolamine-1-3H]AEA levels preincubated for 30 mins followed by AEA addit...


Bioorg Med Chem 25: 6427-6434 (2017)


Article DOI: 10.1016/j.bmc.2017.10.015
BindingDB Entry DOI: 10.7270/Q2028V4G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of MAGL in human U937 cell homogenate assessed as decrease in [ethanolamine-1-3H]AEA levels preincubated for 30 mins followed by AEA addit...


Bioorg Med Chem 25: 6427-6434 (2017)


Article DOI: 10.1016/j.bmc.2017.10.015
BindingDB Entry DOI: 10.7270/Q2028V4G
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 50n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of CB1 receptor in HEK293 cell membranes assessed as inhibition of CP55,940-induced [35S]GTPgammaS binding


J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/an/an/a 71n/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human CB1R expressed in CHO-K1 cells assessed as effect on CP55,940-induced inhibition of forskolin-induced...


J Med Chem 59: 44-60 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01303
BindingDB Entry DOI: 10.7270/Q2Z03C57
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/an/an/a 3.80n/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human CB1R expressed in CHO-K1 cells assessed as inhibition of CP55,940-induced beta-arrestin recruitment p...


J Med Chem 59: 44-60 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01303
BindingDB Entry DOI: 10.7270/Q2Z03C57
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 33n/an/an/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Allosteric modulation of CB1 receptor (unknown origin) assessed as inhibition of calcium mobilization by FLIPR assay


ACS Med Chem Lett 9: 1162-1163 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00575
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 102n/an/an/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Allosteric modulation of CB1 receptor (unknown origin) assessed as inhibition of CP55940-induced [35S]GTPgammaS binding


ACS Med Chem Lett 9: 1162-1163 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00575
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human CB1 receptor by Ca2+ assay


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 2.62E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in HEK293 cells assessed as suppression of 100 nM CP55,940-induced reduction in forskol...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 123n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes assessed as suppression of 1 uM CP55,940-induced [35S]GTPgammaS binding i...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 115n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at mouse CB1 receptor by GTPgammaS assay


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 288n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes assessed as suppression of 100 nM CP55,940-induced [35S]GTPgammaS binding...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of EC80 CP55,940-induced calcium mobil...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 2.62E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in HEK293 cells assessed as suppression of 100 nM CP55,940-induced reduction in forskol...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 1.5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in HEK293 cell membranes assessed as suppression of [35S]GTPgammaS binding incubated for 60 ...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 288n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes assessed as suppression of 100 nM CP55,940-induced [35S]GTPgammaS binding...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of EC80 CP55,940-induced calcium mobil...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 1.5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in HEK293 cell membranes assessed as suppression of [35S]GTPgammaS binding incubated for 60 ...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 123n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes assessed as suppression of 1 uM CP55,940-induced [35S]GTPgammaS binding i...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 115n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at mouse CB1 receptor by GTPgammaS assay


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 455n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in HEK293 cell membranes assessed as suppression of 100 nM CP55,940-induced [35S]GTPgam...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 288n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes assessed as suppression of 100 nM CP55,940-induced [35S]GTPgammaS binding...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 123n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes assessed as suppression of 1 uM CP55,940-induced [35S]GTPgammaS binding i...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 123n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes assessed as suppression of 1 uM CP55,940-induced [35S]GTPgammaS binding i...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 455n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in HEK293 cell membranes assessed as suppression of 100 nM CP55,940-induced [35S]GTPgam...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human CB1 receptor by Ca2+ assay


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor stably expressed in CHO-RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization afte...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells after 1 hr by scintillation counting


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair