BindingDB logo
myBDB logout

PubMed code 18243711

Compile data set for download or QSAR
Found 76 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50251131
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-cycloh...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H31BrClN3O/c26-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)27)29-15-17-30(18-16-29)25(31)28-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49.4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50251130
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-Ncyclohe...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H29BrClN3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62.8n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242549
PNG
(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-N-cyclo...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C25H31Cl2N3O/c26-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)27)29-15-17-30(18-16-29)25(31)28-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,28,31)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 66.5n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242548
PNG
(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-N-cyclo...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C24H29Cl2N3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 72.8n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251131
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-cycloh...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H31BrClN3O/c26-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)27)29-15-17-30(18-16-29)25(31)28-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,28,31)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 82.3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242557
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H30Cl3N3O/c26-19-9-7-18(8-10-19)24(22-12-11-20(27)17-23(22)28)30-13-15-31(16-14-30)25(32)29-21-5-3-1-2-4-6-21/h7-12,17,21,24H,1-6,13-16H2,(H,29,32)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 89.2n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251130
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-Ncyclohe...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H29BrClN3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 103n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242582
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-8-6-17(7-9-18)23(21-11-10-19(26)16-22(21)27)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

DrugBank
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242566
PNG
(CHEMBL519584 | N-tert-Butyl-4-((2-chlorophenyl)(4-...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H27Cl2N3O/c1-22(2,3)25-21(28)27-14-12-26(13-15-27)20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)24/h4-11,20H,12-15H2,1-3H3,(H,25,28)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 122n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251132
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-(cyclo...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H31BrClN3O/c26-21-12-10-20(11-13-21)24(22-8-4-5-9-23(22)27)29-14-16-30(17-15-29)25(31)28-18-19-6-2-1-3-7-19/h4-5,8-13,19,24H,1-3,6-7,14-18H2,(H,28,31)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 127n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242548
PNG
(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-N-cyclo...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C24H29Cl2N3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 128n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242601
PNG
(4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-met...)
Show SMILES FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClF3N3O/c27-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)26(28,29)30)32-15-17-33(18-16-32)25(34)31-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,31,34)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 141n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50251132
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-(cyclo...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H31BrClN3O/c26-21-12-10-20(11-13-21)24(22-8-4-5-9-23(22)27)29-14-16-30(17-15-29)25(31)28-18-19-6-2-1-3-7-19/h4-5,8-13,19,24H,1-3,6-7,14-18H2,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 146n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242568
PNG
(4-((4-Chlorophenyl)(o-tolyl)methyl)-N-cycloheptylp...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN3O/c1-20-8-6-7-11-24(20)25(21-12-14-22(27)15-13-21)29-16-18-30(19-17-29)26(31)28-23-9-4-2-3-5-10-23/h6-8,11-15,23,25H,2-5,9-10,16-19H2,1H3,(H,28,31)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 151n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242537
PNG
(4-((4-Chlorophenyl)(2,3-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H30Cl3N3O/c26-19-12-10-18(11-13-19)24(21-8-5-9-22(27)23(21)28)30-14-16-31(17-15-30)25(32)29-20-6-3-1-2-4-7-20/h5,8-13,20,24H,1-4,6-7,14-17H2,(H,29,32)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242568
PNG
(4-((4-Chlorophenyl)(o-tolyl)methyl)-N-cycloheptylp...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN3O/c1-20-8-6-7-11-24(20)25(21-12-14-22(27)15-13-21)29-16-18-30(19-17-29)26(31)28-23-9-4-2-3-5-10-23/h6-8,11-15,23,25H,2-5,9-10,16-19H2,1H3,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 163n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242600
PNG
(4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-met...)
Show SMILES FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClF3N3O/c26-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)25(27,28)29)31-14-16-32(17-15-31)24(33)30-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,30,33)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 163n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242556
PNG
(4-((4-Chlorophenyl)(2,3-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-11-9-17(10-12-18)23(20-7-4-8-21(26)22(20)27)29-13-15-30(16-14-29)24(31)28-19-5-2-1-3-6-19/h4,7-12,19,23H,1-3,5-6,13-16H2,(H,28,31)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 186n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242600
PNG
(4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-met...)
Show SMILES FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClF3N3O/c26-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)25(27,28)29)31-14-16-32(17-15-31)24(33)30-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,30,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 186n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242565
PNG
(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-N-(cycl...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C25H31Cl2N3O/c26-21-12-10-20(11-13-21)24(22-8-4-5-9-23(22)27)29-14-16-30(17-15-29)25(31)28-18-19-6-2-1-3-7-19/h4-5,8-13,19,24H,1-3,6-7,14-18H2,(H,28,31)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 189n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242567
PNG
(4-((4-Chlorophenyl)(o-tolyl)methyl)-N-cyclohexylpi...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H32ClN3O/c1-19-7-5-6-10-23(19)24(20-11-13-21(26)14-12-20)28-15-17-29(18-16-28)25(30)27-22-8-3-2-4-9-22/h5-7,10-14,22,24H,2-4,8-9,15-18H2,1H3,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 195n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242601
PNG
(4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-met...)
Show SMILES FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClF3N3O/c27-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)26(28,29)30)32-15-17-33(18-16-32)25(34)31-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,31,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 204n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242549
PNG
(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-N-cyclo...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C25H31Cl2N3O/c26-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)27)29-15-17-30(18-16-29)25(31)28-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 226n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251117
PNG
(2-(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-pipe...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)C(=O)NC1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C25H29Cl2N3O2/c26-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)27)29-14-16-30(17-15-29)25(32)24(31)28-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,28,31)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 226n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251118
PNG
(2-(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-pipe...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)C(=O)NC1CCCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C26H31Cl2N3O2/c27-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)28)30-15-17-31(18-16-30)26(33)25(32)29-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,29,32)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 229n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251133
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-tert-b...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Br)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H27BrClN3O/c1-22(2,3)25-21(28)27-14-12-26(13-15-27)20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)24/h4-11,20H,12-15H2,1-3H3,(H,25,28)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 237n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242567
PNG
(4-((4-Chlorophenyl)(o-tolyl)methyl)-N-cyclohexylpi...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H32ClN3O/c1-19-7-5-6-10-23(19)24(20-11-13-21(26)14-12-20)28-15-17-29(18-16-28)25(30)27-22-8-3-2-4-9-22/h5-7,10-14,22,24H,2-4,8-9,15-18H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 248n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242547
PNG
(1-(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-...)
Show SMILES CCCCCC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H27Cl3N2O/c1-2-3-4-5-22(29)27-12-14-28(15-13-27)23(17-6-8-18(24)9-7-17)20-11-10-19(25)16-21(20)26/h6-11,16,23H,2-5,12-15H2,1H3
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 257n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242558
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-(...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H30Cl3N3O/c26-20-8-6-19(7-9-20)24(22-11-10-21(27)16-23(22)28)30-12-14-31(15-13-30)25(32)29-17-18-4-2-1-3-5-18/h6-11,16,18,24H,1-5,12-15,17H2,(H,29,32)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 262n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242565
PNG
(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-N-(cycl...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C25H31Cl2N3O/c26-21-12-10-20(11-13-21)24(22-8-4-5-9-23(22)27)29-14-16-30(17-15-29)25(31)28-18-19-6-2-1-3-7-19/h4-5,8-13,19,24H,1-3,6-7,14-18H2,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 273n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50251133
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-tert-b...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Br)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H27BrClN3O/c1-22(2,3)25-21(28)27-14-12-26(13-15-27)20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)24/h4-11,20H,12-15H2,1-3H3,(H,25,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 286n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242598
PNG
(4-((4-Chlorophenyl)(o-tolyl)methyl)-N-(cyclohexylm...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN3O/c1-20-7-5-6-10-24(20)25(22-11-13-23(27)14-12-22)29-15-17-30(18-16-29)26(31)28-19-21-8-3-2-4-9-21/h5-7,10-14,21,25H,2-4,8-9,15-19H2,1H3,(H,28,31)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 291n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242539
PNG
(CHEMBL472299 | N-tert-Butyl-4-((4-chlorophenyl)(2,...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H26Cl3N3O/c1-22(2,3)26-21(29)28-13-11-27(12-14-28)20(15-7-9-16(23)10-8-15)17-5-4-6-18(24)19(17)25/h4-10,20H,11-14H2,1-3H3,(H,26,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 316n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242599
PNG
(CHEMBL528325 | N-tert-Butyl-4-((4-chlorophenyl)(o-...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NC(C)(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN3O/c1-17-7-5-6-8-20(17)21(18-9-11-19(24)12-10-18)26-13-15-27(16-14-26)22(28)25-23(2,3)4/h5-12,21H,13-16H2,1-4H3,(H,25,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 334n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242598
PNG
(4-((4-Chlorophenyl)(o-tolyl)methyl)-N-(cyclohexylm...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN3O/c1-20-7-5-6-10-24(20)25(22-11-13-23(27)14-12-22)29-15-17-30(18-16-29)26(31)28-19-21-8-3-2-4-9-21/h5-7,10-14,21,25H,2-4,8-9,15-19H2,1H3,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242582
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-8-6-17(7-9-18)23(21-11-10-19(26)16-22(21)27)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 367n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242537
PNG
(4-((4-Chlorophenyl)(2,3-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H30Cl3N3O/c26-19-12-10-18(11-13-19)24(21-8-5-9-22(27)23(21)28)30-14-16-31(17-15-30)25(32)29-20-6-3-1-2-4-7-20/h5,8-13,20,24H,1-4,6-7,14-17H2,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 424n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242556
PNG
(4-((4-Chlorophenyl)(2,3-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-11-9-17(10-12-18)23(20-7-4-8-21(26)22(20)27)29-13-15-30(16-14-29)24(31)28-19-5-2-1-3-6-19/h4,7-12,19,23H,1-3,5-6,13-16H2,(H,28,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 441n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242566
PNG
(CHEMBL519584 | N-tert-Butyl-4-((2-chlorophenyl)(4-...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H27Cl2N3O/c1-22(2,3)25-21(28)27-14-12-26(13-15-27)20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)24/h4-11,20H,12-15H2,1-3H3,(H,25,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 443n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251115
PNG
(4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-met...)
Show SMILES FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClF3N3O/c27-21-12-10-20(11-13-21)24(22-8-4-5-9-23(22)26(28,29)30)32-14-16-33(17-15-32)25(34)31-18-19-6-2-1-3-7-19/h4-5,8-13,19,24H,1-3,6-7,14-18H2,(H,31,34)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 526n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242599
PNG
(CHEMBL528325 | N-tert-Butyl-4-((4-chlorophenyl)(o-...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NC(C)(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN3O/c1-17-7-5-6-8-20(17)21(18-9-11-19(24)12-10-18)26-13-15-27(16-14-26)22(28)25-23(2,3)4/h5-12,21H,13-16H2,1-4H3,(H,25,28)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 680n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242557
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H30Cl3N3O/c26-19-9-7-18(8-10-19)24(22-12-11-20(27)17-23(22)28)30-13-15-31(16-14-30)25(32)29-21-5-3-1-2-4-6-21/h7-12,17,21,24H,1-6,13-16H2,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 729n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242539
PNG
(CHEMBL472299 | N-tert-Butyl-4-((4-chlorophenyl)(2,...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H26Cl3N3O/c1-22(2,3)26-21(29)28-13-11-27(12-14-28)20(15-7-9-16(23)10-8-15)17-5-4-6-18(24)19(17)25/h4-10,20H,11-14H2,1-3H3,(H,26,29)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 783n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50251115
PNG
(4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-met...)
Show SMILES FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClF3N3O/c27-21-12-10-20(11-13-21)24(22-8-4-5-9-23(22)26(28,29)30)32-14-16-33(17-15-32)25(34)31-18-19-6-2-1-3-7-19/h4-5,8-13,19,24H,1-3,6-7,14-18H2,(H,31,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 798n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242581
PNG
(4-(Bis(4-chlorophenyl)methyl)-N-cyclohexylpiperazi...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H29Cl2N3O/c25-20-10-6-18(7-11-20)23(19-8-12-21(26)13-9-19)28-14-16-29(17-15-28)24(30)27-22-4-2-1-3-5-22/h6-13,22-23H,1-5,14-17H2,(H,27,30)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 914n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50242558
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-(...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H30Cl3N3O/c26-20-8-6-19(7-9-20)24(22-11-10-21(27)16-23(22)28)30-12-14-31(15-13-30)25(32)29-17-18-4-2-1-3-5-18/h6-11,16,18,24H,1-5,12-15,17H2,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.04E+3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242584
PNG
((4-(Bis(4-chlorophenyl)methyl)piperazin-1-yl)-(cyc...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)C1CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24Cl2N2O/c23-19-8-4-16(5-9-19)21(17-6-10-20(24)11-7-17)25-12-14-26(15-13-25)22(27)18-2-1-3-18/h4-11,18,21H,1-3,12-15H2
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242585
PNG
(1-(4-(Bis(4-chlorophenyl)methyl)piperazin-1-yl)-he...)
Show SMILES CCCCCC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H28Cl2N2O/c1-2-3-4-5-22(28)26-14-16-27(17-15-26)23(18-6-10-20(24)11-7-18)19-8-12-21(25)13-9-19/h6-13,23H,2-5,14-17H2,1H3
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.15E+3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242583
PNG
(4-(Bis(4-chlorophenyl)methyl)piperazin-1-yl)-(cycl...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)C1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H28Cl2N2O/c25-21-10-6-18(7-11-21)23(19-8-12-22(26)13-9-19)27-14-16-28(17-15-27)24(29)20-4-2-1-3-5-20/h6-13,20,23H,1-5,14-17H2
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.76E+3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242546
PNG
(CHEMBL488217 | N-tert-Butyl-4-((4-chlorophenyl)(2,...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H26Cl3N3O/c1-22(2,3)26-21(29)28-12-10-27(11-13-28)20(15-4-6-16(23)7-5-15)18-9-8-17(24)14-19(18)25/h4-9,14,20H,10-13H2,1-3H3,(H,26,29)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50242538
PNG
(4-((4-Chlorophenyl)(2,3-dichlorophenyl)methyl)-N-(...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H30Cl3N3O/c26-20-11-9-19(10-12-20)24(21-7-4-8-22(27)23(21)28)30-13-15-31(16-14-30)25(32)29-17-18-5-2-1-3-6-18/h4,7-12,18,24H,1-3,5-6,13-17H2,(H,29,32)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251116
PNG
(CHEMBL465868 | N-tert-Butyl-4-((4-chlorophenyl)(2-...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H27ClF3N3O/c1-22(2,3)28-21(31)30-14-12-29(13-15-30)20(16-8-10-17(24)11-9-16)18-6-4-5-7-19(18)23(25,26)27/h4-11,20H,12-15H2,1-3H3,(H,28,31)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.05E+3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242566
PNG
(CHEMBL519584 | N-tert-Butyl-4-((2-chlorophenyl)(4-...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H27Cl2N3O/c1-22(2,3)25-21(28)27-14-12-26(13-15-27)20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)24/h4-11,20H,12-15H2,1-3H3,(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.82E+3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50251133
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-tert-b...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Br)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H27BrClN3O/c1-22(2,3)25-21(28)27-14-12-26(13-15-27)20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)24/h4-11,20H,12-15H2,1-3H3,(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.95E+3n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50251115
PNG
(4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-met...)
Show SMILES FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClF3N3O/c27-21-12-10-20(11-13-21)24(22-8-4-5-9-23(22)26(28,29)30)32-14-16-33(17-15-32)25(34)31-18-19-6-2-1-3-7-19/h4-5,8-13,19,24H,1-3,6-7,14-18H2,(H,31,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242599
PNG
(CHEMBL528325 | N-tert-Butyl-4-((4-chlorophenyl)(o-...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NC(C)(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN3O/c1-17-7-5-6-8-20(17)21(18-9-11-19(24)12-10-18)26-13-15-27(16-14-26)22(28)25-23(2,3)4/h5-12,21H,13-16H2,1-4H3,(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50251131
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-cycloh...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H31BrClN3O/c26-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)27)29-15-17-30(18-16-29)25(31)28-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242567
PNG
(4-((4-Chlorophenyl)(o-tolyl)methyl)-N-cyclohexylpi...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H32ClN3O/c1-19-7-5-6-10-23(19)24(20-11-13-21(26)14-12-20)28-15-17-29(18-16-28)25(30)27-22-8-3-2-4-9-22/h5-7,10-14,22,24H,2-4,8-9,15-18H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242565
PNG
(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-N-(cycl...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C25H31Cl2N3O/c26-21-12-10-20(11-13-21)24(22-8-4-5-9-23(22)27)29-14-16-30(17-15-29)25(31)28-18-19-6-2-1-3-7-19/h4-5,8-13,19,24H,1-3,6-7,14-18H2,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242548
PNG
(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-N-cyclo...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C24H29Cl2N3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242557
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H30Cl3N3O/c26-19-9-7-18(8-10-19)24(22-12-11-20(27)17-23(22)28)30-13-15-31(16-14-30)25(32)29-21-5-3-1-2-4-6-21/h7-12,17,21,24H,1-6,13-16H2,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242582
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-8-6-17(7-9-18)23(21-11-10-19(26)16-22(21)27)29-12-14-30(15-13-29)24(31)28-20-4-2-1-3-5-20/h6-11,16,20,23H,1-5,12-15H2,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50251130
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-Ncyclohe...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H29BrClN3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242539
PNG
(CHEMBL472299 | N-tert-Butyl-4-((4-chlorophenyl)(2,...)
Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H26Cl3N3O/c1-22(2,3)26-21(29)28-13-11-27(12-14-28)20(15-7-9-16(23)10-8-15)17-5-4-6-18(24)19(17)25/h4-10,20H,11-14H2,1-3H3,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242600
PNG
(4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-met...)
Show SMILES FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClF3N3O/c26-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)25(27,28)29)31-14-16-32(17-15-31)24(33)30-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50251132
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-N-(cyclo...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H31BrClN3O/c26-21-12-10-20(11-13-21)24(22-8-4-5-9-23(22)27)29-14-16-30(17-15-29)25(31)28-18-19-6-2-1-3-7-19/h4-5,8-13,19,24H,1-3,6-7,14-18H2,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242558
PNG
(4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-(...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H30Cl3N3O/c26-20-8-6-19(7-9-20)24(22-11-10-21(27)16-23(22)28)30-12-14-31(15-13-30)25(32)29-17-18-4-2-1-3-5-18/h6-11,16,18,24H,1-5,12-15,17H2,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242556
PNG
(4-((4-Chlorophenyl)(2,3-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H28Cl3N3O/c25-18-11-9-17(10-12-18)23(20-7-4-8-21(26)22(20)27)29-13-15-30(16-14-29)24(31)28-19-5-2-1-3-6-19/h4,7-12,19,23H,1-3,5-6,13-16H2,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242549
PNG
(4-((2-Chlorophenyl)(4-chlorophenyl)methyl)-N-cyclo...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C25H31Cl2N3O/c26-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)27)29-15-17-30(18-16-29)25(31)28-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242568
PNG
(4-((4-Chlorophenyl)(o-tolyl)methyl)-N-cycloheptylp...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN3O/c1-20-8-6-7-11-24(20)25(21-12-14-22(27)15-13-21)29-16-18-30(19-17-29)26(31)28-23-9-4-2-3-5-10-23/h6-8,11-15,23,25H,2-5,9-10,16-19H2,1H3,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242598
PNG
(4-((4-Chlorophenyl)(o-tolyl)methyl)-N-(cyclohexylm...)
Show SMILES Cc1ccccc1C(N1CCN(CC1)C(=O)NCC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN3O/c1-20-7-5-6-10-24(20)25(22-11-13-23(27)14-12-22)29-15-17-30(18-16-29)26(31)28-19-21-8-3-2-4-9-21/h5-7,10-14,21,25H,2-4,8-9,15-19H2,1H3,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242537
PNG
(4-((4-Chlorophenyl)(2,3-dichlorophenyl)methyl)-N-c...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H30Cl3N3O/c26-19-12-10-18(11-13-19)24(21-8-5-9-22(27)23(21)28)30-14-16-31(17-15-30)25(32)29-20-6-3-1-2-4-7-20/h5,8-13,20,24H,1-4,6-7,14-17H2,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50242601
PNG
(4-((4-Chlorophenyl)(2-(trifluoromethyl)phenyl)-met...)
Show SMILES FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClF3N3O/c27-20-13-11-19(12-14-20)24(22-9-5-6-10-23(22)26(28,29)30)32-15-17-33(18-16-32)25(34)31-21-7-3-1-2-4-8-21/h5-6,9-14,21,24H,1-4,7-8,15-18H2,(H,31,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%