BindingDB logo
myBDB logout

PubMed code 20845959

Compile data set for download or QSAR
Found 94 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


(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
1.18n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328956
PNG
(CHEMBL1269774 | N-{11-[(11-Aminoundecyl)amino]unde...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCN
Show InChI InChI=1S/C39H58Cl3N5O/c1-31-37(46-47(36-25-24-34(41)30-35(36)42)38(31)32-20-22-33(40)23-21-32)39(48)45-29-19-15-11-7-3-6-10-14-18-28-44-27-17-13-9-5-2-4-8-12-16-26-43/h20-25,30,44H,2-19,26-29,43H2,1H3,(H,45,48)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328952
PNG
(CHEMBL1269766 | N,N'-(Iminodiheptane-7,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C48H51Cl6N7O2/c1-31-43(58-60(41-23-21-37(51)29-39(41)53)45(31)33-13-17-35(49)18-14-33)47(62)56-27-11-7-3-5-9-25-55-26-10-6-4-8-12-28-57-48(63)44-32(2)46(34-15-19-36(50)20-16-34)61(59-44)42-24-22-38(52)30-40(42)54/h13-24,29-30,55H,3-12,25-28H2,1-2H3,(H,56,62)(H,57,63)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.41n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328956
PNG
(CHEMBL1269774 | N-{11-[(11-Aminoundecyl)amino]unde...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCN
Show InChI InChI=1S/C39H58Cl3N5O/c1-31-37(46-47(36-25-24-34(41)30-35(36)42)38(31)32-20-22-33(40)23-21-32)39(48)45-29-19-15-11-7-3-6-10-14-18-28-44-27-17-13-9-5-2-4-8-12-16-26-43/h20-25,30,44H,2-19,26-29,43H2,1H3,(H,45,48)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.56n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328957
PNG
(CHEMBL1269773 | N-{9-[(9-Aminononyl)amino]nonyl}-5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCNCCCCCCCCCN
Show InChI InChI=1S/C35H50Cl3N5O/c1-27-33(42-43(32-21-20-30(37)26-31(32)38)34(27)28-16-18-29(36)19-17-28)35(44)41-25-15-11-7-3-6-10-14-24-40-23-13-9-5-2-4-8-12-22-39/h16-21,26,40H,2-15,22-25,39H2,1H3,(H,41,44)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.44n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328967
PNG
(CHEMBL1269776 | N-{11-[(11-Aminoundecyl)(methyl)am...)
Show SMILES CN(CCCCCCCCCCCN)CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C40H60Cl3N5O/c1-32-38(46-48(37-26-25-35(42)31-36(37)43)39(32)33-21-23-34(41)24-22-33)40(49)45-28-18-14-10-6-4-8-12-16-20-30-47(2)29-19-15-11-7-3-5-9-13-17-27-44/h21-26,31H,3-20,27-30,44H2,1-2H3,(H,45,49)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.51n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328960
PNG
(CHEMBL1269775 | N-{9-[(9-Aminononyl)(methyl)amino]...)
Show SMILES CN(CCCCCCCCCN)CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C36H52Cl3N5O/c1-28-34(42-44(33-22-21-31(38)27-32(33)39)35(28)29-17-19-30(37)20-18-29)36(45)41-24-14-10-6-4-8-12-16-26-43(2)25-15-11-7-3-5-9-13-23-40/h17-22,27H,3-16,23-26,40H2,1-2H3,(H,41,45)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.12n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
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
6.18n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328966
PNG
(CHEMBL1269769 | N,N'-[(Methylimino)dipentane-5,1-d...)
Show SMILES CN(CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C45H45Cl6N7O2/c1-28-40(54-57(38-20-18-34(48)26-36(38)50)42(28)30-10-14-32(46)15-11-30)44(59)52-22-6-4-8-24-56(3)25-9-5-7-23-53-45(60)41-29(2)43(31-12-16-33(47)17-13-31)58(55-41)39-21-19-35(49)27-37(39)51/h10-21,26-27H,4-9,22-25H2,1-3H3,(H,52,59)(H,53,60)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.35n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328960
PNG
(CHEMBL1269775 | N-{9-[(9-Aminononyl)(methyl)amino]...)
Show SMILES CN(CCCCCCCCCN)CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C36H52Cl3N5O/c1-28-34(42-44(33-22-21-31(38)27-32(33)39)35(28)29-17-19-30(37)20-18-29)36(45)41-24-14-10-6-4-8-12-16-26-43(2)25-15-11-7-3-5-9-13-23-40/h17-22,27H,3-16,23-26,40H2,1-2H3,(H,41,45)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328952
PNG
(CHEMBL1269766 | N,N'-(Iminodiheptane-7,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C48H51Cl6N7O2/c1-31-43(58-60(41-23-21-37(51)29-39(41)53)45(31)33-13-17-35(49)18-14-33)47(62)56-27-11-7-3-5-9-25-55-26-10-6-4-8-12-28-57-48(63)44-32(2)46(34-15-19-36(50)20-16-34)61(59-44)42-24-22-38(52)30-40(42)54/h13-24,29-30,55H,3-12,25-28H2,1-2H3,(H,56,62)(H,57,63)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12.3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328957
PNG
(CHEMBL1269773 | N-{9-[(9-Aminononyl)amino]nonyl}-5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCNCCCCCCCCCN
Show InChI InChI=1S/C35H50Cl3N5O/c1-27-33(42-43(32-21-20-30(37)26-31(32)38)34(27)28-16-18-29(36)19-17-28)35(44)41-25-15-11-7-3-6-10-14-24-40-23-13-9-5-2-4-8-12-22-39/h16-21,26,40H,2-15,22-25,39H2,1H3,(H,41,44)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328967
PNG
(CHEMBL1269776 | N-{11-[(11-Aminoundecyl)(methyl)am...)
Show SMILES CN(CCCCCCCCCCCN)CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C40H60Cl3N5O/c1-32-38(46-48(37-26-25-35(42)31-36(37)43)39(32)33-21-23-34(41)24-22-33)40(49)45-28-18-14-10-6-4-8-12-16-20-30-47(2)29-19-15-11-7-3-5-9-13-17-27-44/h21-26,31H,3-20,27-30,44H2,1-2H3,(H,45,49)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14.7n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328961
PNG
(CHEMBL1270662 | N-{7-[(7-Aminoheptyl)(methyl)amino...)
Show SMILES CN(CCCCCCCN)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C32H44Cl3N5O/c1-24-30(32(41)37-20-10-6-4-8-12-22-39(2)21-11-7-3-5-9-19-36)38-40(29-18-17-27(34)23-28(29)35)31(24)25-13-15-26(33)16-14-25/h13-18,23H,3-12,19-22,36H2,1-2H3,(H,37,41)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328965
PNG
(CHEMBL1269770 | N,N'-[(Methylimino)diheptane-7,1-d...)
Show SMILES CN(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C49H53Cl6N7O2/c1-32-44(58-61(42-24-22-38(52)30-40(42)54)46(32)34-14-18-36(50)19-15-34)48(63)56-26-10-6-4-8-12-28-60(3)29-13-9-5-7-11-27-57-49(64)45-33(2)47(35-16-20-37(51)21-17-35)62(59-45)43-25-23-39(53)31-41(43)55/h14-25,30-31H,4-13,26-29H2,1-3H3,(H,56,63)(H,57,64)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17.3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328958
PNG
(CHEMBL1270463 | N-{7-[(7-Aminoheptyl)amino]heptyl}...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCN
Show InChI InChI=1S/C31H42Cl3N5O/c1-23-29(31(40)37-21-11-7-3-6-10-20-36-19-9-5-2-4-8-18-35)38-39(28-17-16-26(33)22-27(28)34)30(23)24-12-14-25(32)15-13-24/h12-17,22,36H,2-11,18-21,35H2,1H3,(H,37,40)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
19.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328965
PNG
(CHEMBL1269770 | N,N'-[(Methylimino)diheptane-7,1-d...)
Show SMILES CN(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C49H53Cl6N7O2/c1-32-44(58-61(42-24-22-38(52)30-40(42)54)46(32)34-14-18-36(50)19-15-34)48(63)56-26-10-6-4-8-12-28-60(3)29-13-9-5-7-11-27-57-49(64)45-33(2)47(35-16-20-37(51)21-17-35)62(59-45)43-25-23-39(53)31-41(43)55/h14-25,30-31H,4-13,26-29H2,1-3H3,(H,56,63)(H,57,64)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
27.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328953
PNG
(CHEMBL1269765 | N,N'-(Iminodipentane-5,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCNCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C44H43Cl6N7O2/c1-27-39(54-56(37-19-17-33(47)25-35(37)49)41(27)29-9-13-31(45)14-10-29)43(58)52-23-7-3-5-21-51-22-6-4-8-24-53-44(59)40-28(2)42(30-11-15-32(46)16-12-30)57(55-40)38-20-18-34(48)26-36(38)50/h9-20,25-26,51H,3-8,21-24H2,1-2H3,(H,52,58)(H,53,59)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
30.4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328950
PNG
(CHEMBL1269768 | N,N'-(Iminodiundecane-11,1-diyl)bi...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C56H67Cl6N7O2/c1-39-51(66-68(49-31-29-45(59)37-47(49)61)53(39)41-21-25-43(57)26-22-41)55(70)64-35-19-15-11-7-3-5-9-13-17-33-63-34-18-14-10-6-4-8-12-16-20-36-65-56(71)52-40(2)54(42-23-27-44(58)28-24-42)69(67-52)50-32-30-46(60)38-48(50)62/h21-32,37-38,63H,3-20,33-36H2,1-2H3,(H,64,70)(H,65,71)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
37n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328961
PNG
(CHEMBL1270662 | N-{7-[(7-Aminoheptyl)(methyl)amino...)
Show SMILES CN(CCCCCCCN)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C32H44Cl3N5O/c1-24-30(32(41)37-20-10-6-4-8-12-22-39(2)21-11-7-3-5-9-19-36)38-40(29-18-17-27(34)23-28(29)35)31(24)25-13-15-26(33)16-14-25/h13-18,23H,3-12,19-22,36H2,1-2H3,(H,37,41)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
37.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328966
PNG
(CHEMBL1269769 | N,N'-[(Methylimino)dipentane-5,1-d...)
Show SMILES CN(CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C45H45Cl6N7O2/c1-28-40(54-57(38-20-18-34(48)26-36(38)50)42(28)30-10-14-32(46)15-11-30)44(59)52-22-6-4-8-24-56(3)25-9-5-7-23-53-45(60)41-29(2)43(31-12-16-33(47)17-13-31)58(55-41)39-21-19-35(49)27-37(39)51/h10-21,26-27H,4-9,22-25H2,1-3H3,(H,52,59)(H,53,60)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
38.7n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328954
PNG
(CHEMBL1269019 | N,N'-(Iminodipropane-3,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCNCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C40H35Cl6N7O2/c1-23-35(50-52(33-15-13-29(43)21-31(33)45)37(23)25-5-9-27(41)10-6-25)39(54)48-19-3-17-47-18-4-20-49-40(55)36-24(2)38(26-7-11-28(42)12-8-26)53(51-36)34-16-14-30(44)22-32(34)46/h5-16,21-22,47H,3-4,17-20H2,1-2H3,(H,48,54)(H,49,55)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
41.9n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328958
PNG
(CHEMBL1270463 | N-{7-[(7-Aminoheptyl)amino]heptyl}...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCN
Show InChI InChI=1S/C31H42Cl3N5O/c1-23-29(31(40)37-21-11-7-3-6-10-20-36-19-9-5-2-4-8-18-35)38-39(28-17-16-26(33)22-27(28)34)30(23)24-12-14-25(32)15-13-24/h12-17,22,36H,2-11,18-21,35H2,1H3,(H,37,40)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
46.7n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328951
PNG
(CHEMBL1269767 | N,N'-(Iminodinonane-9,1-diyl)bis[5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCNCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C52H59Cl6N7O2/c1-35-47(62-64(45-27-25-41(55)33-43(45)57)49(35)37-17-21-39(53)22-18-37)51(66)60-31-15-11-7-3-5-9-13-29-59-30-14-10-6-4-8-12-16-32-61-52(67)48-36(2)50(38-19-23-40(54)24-20-38)65(63-48)46-28-26-42(56)34-44(46)58/h17-28,33-34,59H,3-16,29-32H2,1-2H3,(H,60,66)(H,61,67)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
54.1n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328951
PNG
(CHEMBL1269767 | N,N'-(Iminodinonane-9,1-diyl)bis[5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCNCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C52H59Cl6N7O2/c1-35-47(62-64(45-27-25-41(55)33-43(45)57)49(35)37-17-21-39(53)22-18-37)51(66)60-31-15-11-7-3-5-9-13-29-59-30-14-10-6-4-8-12-16-32-61-52(67)48-36(2)50(38-19-23-40(54)24-20-38)65(63-48)46-28-26-42(56)34-44(46)58/h17-28,33-34,59H,3-16,29-32H2,1-2H3,(H,60,66)(H,61,67)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
57.4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328953
PNG
(CHEMBL1269765 | N,N'-(Iminodipentane-5,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCNCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C44H43Cl6N7O2/c1-27-39(54-56(37-19-17-33(47)25-35(37)49)41(27)29-9-13-31(45)14-10-29)43(58)52-23-7-3-5-21-51-22-6-4-8-24-53-44(59)40-28(2)42(30-11-15-32(46)16-12-30)57(55-40)38-20-18-34(48)26-36(38)50/h9-20,25-26,51H,3-8,21-24H2,1-2H3,(H,52,58)(H,53,59)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
68.1n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328962
PNG
(CHEMBL1270563 | N-{5-[(5-Aminopentyl)(methyl)amino...)
Show SMILES CN(CCCCCN)CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H36Cl3N5O/c1-20-26(28(37)33-16-6-4-8-18-35(2)17-7-3-5-15-32)34-36(25-14-13-23(30)19-24(25)31)27(20)21-9-11-22(29)12-10-21/h9-14,19H,3-8,15-18,32H2,1-2H3,(H,33,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
88.8n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328955
PNG
(CHEMBL1269764 | N,N'-(Iminodiethane-2,1-diyl)bis[5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCNCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C38H31Cl6N7O2/c1-21-33(48-50(31-13-11-27(41)19-29(31)43)35(21)23-3-7-25(39)8-4-23)37(52)46-17-15-45-16-18-47-38(53)34-22(2)36(24-5-9-26(40)10-6-24)51(49-34)32-14-12-28(42)20-30(32)44/h3-14,19-20,45H,15-18H2,1-2H3,(H,46,52)(H,47,53)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
94n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328964
PNG
(CHEMBL1269771 | N,N'-[(Methylimino)dinonane-9,1-di...)
Show SMILES CN(CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C53H61Cl6N7O2/c1-36-48(62-65(46-28-26-42(56)34-44(46)58)50(36)38-18-22-40(54)23-19-38)52(67)60-30-14-10-6-4-8-12-16-32-64(3)33-17-13-9-5-7-11-15-31-61-53(68)49-37(2)51(39-20-24-41(55)25-21-39)66(63-49)47-29-27-43(57)35-45(47)59/h18-29,34-35H,4-17,30-33H2,1-3H3,(H,60,67)(H,61,68)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
94.1n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328950
PNG
(CHEMBL1269768 | N,N'-(Iminodiundecane-11,1-diyl)bi...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C56H67Cl6N7O2/c1-39-51(66-68(49-31-29-45(59)37-47(49)61)53(39)41-21-25-43(57)26-22-41)55(70)64-35-19-15-11-7-3-5-9-13-17-33-63-34-18-14-10-6-4-8-12-16-20-36-65-56(71)52-40(2)54(42-23-27-44(58)28-24-42)69(67-52)50-32-30-46(60)38-48(50)62/h21-32,37-38,63H,3-20,33-36H2,1-2H3,(H,64,70)(H,65,71)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
99.3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328962
PNG
(CHEMBL1270563 | N-{5-[(5-Aminopentyl)(methyl)amino...)
Show SMILES CN(CCCCCN)CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H36Cl3N5O/c1-20-26(28(37)33-16-6-4-8-18-35(2)17-7-3-5-15-32)34-36(25-14-13-23(30)19-24(25)31)27(20)21-9-11-22(29)12-10-21/h9-14,19H,3-8,15-18,32H2,1-2H3,(H,33,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
162n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328954
PNG
(CHEMBL1269019 | N,N'-(Iminodipropane-3,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCNCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C40H35Cl6N7O2/c1-23-35(50-52(33-15-13-29(43)21-31(33)45)37(23)25-5-9-27(41)10-6-25)39(54)48-19-3-17-47-18-4-20-49-40(55)36-24(2)38(26-7-11-28(42)12-8-26)53(51-36)34-16-14-30(44)22-32(34)46/h5-16,21-22,47H,3-4,17-20H2,1-2H3,(H,48,54)(H,49,55)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
174n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328955
PNG
(CHEMBL1269764 | N,N'-(Iminodiethane-2,1-diyl)bis[5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCNCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C38H31Cl6N7O2/c1-21-33(48-50(31-13-11-27(41)19-29(31)43)35(21)23-3-7-25(39)8-4-23)37(52)46-17-15-45-16-18-47-38(53)34-22(2)36(24-5-9-26(40)10-6-24)51(49-34)32-14-12-28(42)20-30(32)44/h3-14,19-20,45H,15-18H2,1-2H3,(H,46,52)(H,47,53)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328959
PNG
(CHEMBL1270369 | N-{5-[(5-Aminopentyl)amino]pentyl}...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCNCCCCCN
Show InChI InChI=1S/C27H34Cl3N5O/c1-19-25(27(36)33-17-7-3-6-16-32-15-5-2-4-14-31)34-35(24-13-12-22(29)18-23(24)30)26(19)20-8-10-21(28)11-9-20/h8-13,18,32H,2-7,14-17,31H2,1H3,(H,33,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
230n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328964
PNG
(CHEMBL1269771 | N,N'-[(Methylimino)dinonane-9,1-di...)
Show SMILES CN(CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C53H61Cl6N7O2/c1-36-48(62-65(46-28-26-42(56)34-44(46)58)50(36)38-18-22-40(54)23-19-38)52(67)60-30-14-10-6-4-8-12-16-32-64(3)33-17-13-9-5-7-11-15-31-61-53(68)49-37(2)51(39-20-24-41(55)25-21-39)66(63-49)47-29-27-43(57)35-45(47)59/h18-29,34-35H,4-17,30-33H2,1-3H3,(H,60,67)(H,61,68)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
247n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328960
PNG
(CHEMBL1269775 | N-{9-[(9-Aminononyl)(methyl)amino]...)
Show SMILES CN(CCCCCCCCCN)CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C36H52Cl3N5O/c1-28-34(42-44(33-22-21-31(38)27-32(33)39)35(28)29-17-19-30(37)20-18-29)36(45)41-24-14-10-6-4-8-12-16-26-43(2)25-15-11-7-3-5-9-13-23-40/h17-22,27H,3-16,23-26,40H2,1-2H3,(H,41,45)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
265n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328956
PNG
(CHEMBL1269774 | N-{11-[(11-Aminoundecyl)amino]unde...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCN
Show InChI InChI=1S/C39H58Cl3N5O/c1-31-37(46-47(36-25-24-34(41)30-35(36)42)38(31)32-20-22-33(40)23-21-32)39(48)45-29-19-15-11-7-3-6-10-14-18-28-44-27-17-13-9-5-2-4-8-12-16-26-43/h20-25,30,44H,2-19,26-29,43H2,1H3,(H,45,48)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
305n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
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
313n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328959
PNG
(CHEMBL1270369 | N-{5-[(5-Aminopentyl)amino]pentyl}...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCNCCCCCN
Show InChI InChI=1S/C27H34Cl3N5O/c1-19-25(27(36)33-17-7-3-6-16-32-15-5-2-4-14-31)34-35(24-13-12-22(29)18-23(24)30)26(19)20-8-10-21(28)11-9-20/h8-13,18,32H,2-7,14-17,31H2,1H3,(H,33,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
349n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328957
PNG
(CHEMBL1269773 | N-{9-[(9-Aminononyl)amino]nonyl}-5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCNCCCCCCCCCN
Show InChI InChI=1S/C35H50Cl3N5O/c1-27-33(42-43(32-21-20-30(37)26-31(32)38)34(27)28-16-18-29(36)19-17-28)35(44)41-25-15-11-7-3-6-10-14-24-40-23-13-9-5-2-4-8-12-22-39/h16-21,26,40H,2-15,22-25,39H2,1H3,(H,41,44)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
419n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328967
PNG
(CHEMBL1269776 | N-{11-[(11-Aminoundecyl)(methyl)am...)
Show SMILES CN(CCCCCCCCCCCN)CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C40H60Cl3N5O/c1-32-38(46-48(37-26-25-35(42)31-36(37)43)39(32)33-21-23-34(41)24-22-33)40(49)45-28-18-14-10-6-4-8-12-16-20-30-47(2)29-19-15-11-7-3-5-9-13-17-27-44/h21-26,31H,3-20,27-30,44H2,1-2H3,(H,45,49)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
426n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328953
PNG
(CHEMBL1269765 | N,N'-(Iminodipentane-5,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCNCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C44H43Cl6N7O2/c1-27-39(54-56(37-19-17-33(47)25-35(37)49)41(27)29-9-13-31(45)14-10-29)43(58)52-23-7-3-5-21-51-22-6-4-8-24-53-44(59)40-28(2)42(30-11-15-32(46)16-12-30)57(55-40)38-20-18-34(48)26-36(38)50/h9-20,25-26,51H,3-8,21-24H2,1-2H3,(H,52,58)(H,53,59)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
451n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328954
PNG
(CHEMBL1269019 | N,N'-(Iminodipropane-3,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCNCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C40H35Cl6N7O2/c1-23-35(50-52(33-15-13-29(43)21-31(33)45)37(23)25-5-9-27(41)10-6-25)39(54)48-19-3-17-47-18-4-20-49-40(55)36-24(2)38(26-7-11-28(42)12-8-26)53(51-36)34-16-14-30(44)22-32(34)46/h5-16,21-22,47H,3-4,17-20H2,1-2H3,(H,48,54)(H,49,55)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
496n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328969
PNG
(CHEMBL1270270 | N-{2-[(2-Aminoethyl)amino]ethyl}-5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCNCCN
Show InChI InChI=1S/C21H22Cl3N5O/c1-13-19(21(30)27-11-10-26-9-8-25)28-29(18-7-6-16(23)12-17(18)24)20(13)14-2-4-15(22)5-3-14/h2-7,12,26H,8-11,25H2,1H3,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
506n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328952
PNG
(CHEMBL1269766 | N,N'-(Iminodiheptane-7,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C48H51Cl6N7O2/c1-31-43(58-60(41-23-21-37(51)29-39(41)53)45(31)33-13-17-35(49)18-14-33)47(62)56-27-11-7-3-5-9-25-55-26-10-6-4-8-12-28-57-48(63)44-32(2)46(34-15-19-36(50)20-16-34)61(59-44)42-24-22-38(52)30-40(42)54/h13-24,29-30,55H,3-12,25-28H2,1-2H3,(H,56,62)(H,57,63)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
553n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328958
PNG
(CHEMBL1270463 | N-{7-[(7-Aminoheptyl)amino]heptyl}...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCN
Show InChI InChI=1S/C31H42Cl3N5O/c1-23-29(31(40)37-21-11-7-3-6-10-20-36-19-9-5-2-4-8-18-35)38-39(28-17-16-26(33)22-27(28)34)30(23)24-12-14-25(32)15-13-24/h12-17,22,36H,2-11,18-21,35H2,1H3,(H,37,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
622n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328965
PNG
(CHEMBL1269770 | N,N'-[(Methylimino)diheptane-7,1-d...)
Show SMILES CN(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C49H53Cl6N7O2/c1-32-44(58-61(42-24-22-38(52)30-40(42)54)46(32)34-14-18-36(50)19-15-34)48(63)56-26-10-6-4-8-12-28-60(3)29-13-9-5-7-11-27-57-49(64)45-33(2)47(35-16-20-37(51)21-17-35)62(59-45)43-25-23-39(53)31-41(43)55/h14-25,30-31H,4-13,26-29H2,1-3H3,(H,56,63)(H,57,64)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
683n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328966
PNG
(CHEMBL1269769 | N,N'-[(Methylimino)dipentane-5,1-d...)
Show SMILES CN(CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C45H45Cl6N7O2/c1-28-40(54-57(38-20-18-34(48)26-36(38)50)42(28)30-10-14-32(46)15-11-30)44(59)52-22-6-4-8-24-56(3)25-9-5-7-23-53-45(60)41-29(2)43(31-12-16-33(47)17-13-31)58(55-41)39-21-19-35(49)27-37(39)51/h10-21,26-27H,4-9,22-25H2,1-3H3,(H,52,59)(H,53,60)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328969
PNG
(CHEMBL1270270 | N-{2-[(2-Aminoethyl)amino]ethyl}-5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCNCCN
Show InChI InChI=1S/C21H22Cl3N5O/c1-13-19(21(30)27-11-10-26-9-8-25)28-29(18-7-6-16(23)12-17(18)24)20(13)14-2-4-15(22)5-3-14/h2-7,12,26H,8-11,25H2,1H3,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.23E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328955
PNG
(CHEMBL1269764 | N,N'-(Iminodiethane-2,1-diyl)bis[5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCNCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C38H31Cl6N7O2/c1-21-33(48-50(31-13-11-27(41)19-29(31)43)35(21)23-3-7-25(39)8-4-23)37(52)46-17-15-45-16-18-47-38(53)34-22(2)36(24-5-9-26(40)10-6-24)51(49-34)32-14-12-28(42)20-30(32)44/h3-14,19-20,45H,15-18H2,1-2H3,(H,46,52)(H,47,53)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.29E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328963
PNG
(CHEMBL1269772 | N,N'-[(Methylimino)diundecane-11,1...)
Show SMILES CN(CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C57H69Cl6N7O2/c1-40-52(66-69(50-32-30-46(60)38-48(50)62)54(40)42-22-26-44(58)27-23-42)56(71)64-34-18-14-10-6-4-8-12-16-20-36-68(3)37-21-17-13-9-5-7-11-15-19-35-65-57(72)53-41(2)55(43-24-28-45(59)29-25-43)70(67-53)51-33-31-47(61)39-49(51)63/h22-33,38-39H,4-21,34-37H2,1-3H3,(H,64,71)(H,65,72)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.29E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328963
PNG
(CHEMBL1269772 | N,N'-[(Methylimino)diundecane-11,1...)
Show SMILES CN(CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C57H69Cl6N7O2/c1-40-52(66-69(50-32-30-46(60)38-48(50)62)54(40)42-22-26-44(58)27-23-42)56(71)64-34-18-14-10-6-4-8-12-16-20-36-68(3)37-21-17-13-9-5-7-11-15-19-35-65-57(72)53-41(2)55(43-24-28-45(59)29-25-43)70(67-53)51-33-31-47(61)39-49(51)63/h22-33,38-39H,4-21,34-37H2,1-3H3,(H,64,71)(H,65,72)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.89E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328961
PNG
(CHEMBL1270662 | N-{7-[(7-Aminoheptyl)(methyl)amino...)
Show SMILES CN(CCCCCCCN)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C32H44Cl3N5O/c1-24-30(32(41)37-20-10-6-4-8-12-22-39(2)21-11-7-3-5-9-19-36)38-40(29-18-17-27(34)23-28(29)35)31(24)25-13-15-26(33)16-14-25/h13-18,23H,3-12,19-22,36H2,1-2H3,(H,37,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.93E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328968
PNG
(CHEMBL1270368 | N-{3-[(3-Aminopropyl)amino]propyl}...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCNCCCN
Show InChI InChI=1S/C23H26Cl3N5O/c1-15-21(23(32)29-13-3-12-28-11-2-10-27)30-31(20-9-8-18(25)14-19(20)26)22(15)16-4-6-17(24)7-5-16/h4-9,14,28H,2-3,10-13,27H2,1H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328968
PNG
(CHEMBL1270368 | N-{3-[(3-Aminopropyl)amino]propyl}...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCNCCCN
Show InChI InChI=1S/C23H26Cl3N5O/c1-15-21(23(32)29-13-3-12-28-11-2-10-27)30-31(20-9-8-18(25)14-19(20)26)22(15)16-4-6-17(24)7-5-16/h4-9,14,28H,2-3,10-13,27H2,1H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328950
PNG
(CHEMBL1269768 | N,N'-(Iminodiundecane-11,1-diyl)bi...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C56H67Cl6N7O2/c1-39-51(66-68(49-31-29-45(59)37-47(49)61)53(39)41-21-25-43(57)26-22-41)55(70)64-35-19-15-11-7-3-5-9-13-17-33-63-34-18-14-10-6-4-8-12-16-20-36-65-56(71)52-40(2)54(42-23-27-44(58)28-24-42)69(67-52)50-32-30-46(60)38-48(50)62/h21-32,37-38,63H,3-20,33-36H2,1-2H3,(H,64,70)(H,65,71)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328968
PNG
(CHEMBL1270368 | N-{3-[(3-Aminopropyl)amino]propyl}...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCNCCCN
Show InChI InChI=1S/C23H26Cl3N5O/c1-15-21(23(32)29-13-3-12-28-11-2-10-27)30-31(20-9-8-18(25)14-19(20)26)22(15)16-4-6-17(24)7-5-16/h4-9,14,28H,2-3,10-13,27H2,1H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328959
PNG
(CHEMBL1270369 | N-{5-[(5-Aminopentyl)amino]pentyl}...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCNCCCCCN
Show InChI InChI=1S/C27H34Cl3N5O/c1-19-25(27(36)33-17-7-3-6-16-32-15-5-2-4-14-31)34-35(24-13-12-22(29)18-23(24)30)26(19)20-8-10-21(28)11-9-20/h8-13,18,32H,2-7,14-17,31H2,1H3,(H,33,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328951
PNG
(CHEMBL1269767 | N,N'-(Iminodinonane-9,1-diyl)bis[5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCNCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C52H59Cl6N7O2/c1-35-47(62-64(45-27-25-41(55)33-43(45)57)49(35)37-17-21-39(53)22-18-37)51(66)60-31-15-11-7-3-5-9-13-29-59-30-14-10-6-4-8-12-16-32-61-52(67)48-36(2)50(38-19-23-40(54)24-20-38)65(63-48)46-28-26-42(56)34-44(46)58/h17-28,33-34,59H,3-16,29-32H2,1-2H3,(H,60,66)(H,61,67)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328969
PNG
(CHEMBL1270270 | N-{2-[(2-Aminoethyl)amino]ethyl}-5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCNCCN
Show InChI InChI=1S/C21H22Cl3N5O/c1-13-19(21(30)27-11-10-26-9-8-25)28-29(18-7-6-16(23)12-17(18)24)20(13)14-2-4-15(22)5-3-14/h2-7,12,26H,8-11,25H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328964
PNG
(CHEMBL1269771 | N,N'-[(Methylimino)dinonane-9,1-di...)
Show SMILES CN(CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C53H61Cl6N7O2/c1-36-48(62-65(46-28-26-42(56)34-44(46)58)50(36)38-18-22-40(54)23-19-38)52(67)60-30-14-10-6-4-8-12-16-32-64(3)33-17-13-9-5-7-11-15-31-61-53(68)49-37(2)51(39-20-24-41(55)25-21-39)66(63-49)47-29-27-43(57)35-45(47)59/h18-29,34-35H,4-17,30-33H2,1-3H3,(H,60,67)(H,61,68)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328963
PNG
(CHEMBL1269772 | N,N'-[(Methylimino)diundecane-11,1...)
Show SMILES CN(CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C57H69Cl6N7O2/c1-40-52(66-69(50-32-30-46(60)38-48(50)62)54(40)42-22-26-44(58)27-23-42)56(71)64-34-18-14-10-6-4-8-12-16-20-36-68(3)37-21-17-13-9-5-7-11-15-19-35-65-57(72)53-41(2)55(43-24-28-45(59)29-25-43)70(67-53)51-33-31-47(61)39-49(51)63/h22-33,38-39H,4-21,34-37H2,1-3H3,(H,64,71)(H,65,72)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328962
PNG
(CHEMBL1270563 | N-{5-[(5-Aminopentyl)(methyl)amino...)
Show SMILES CN(CCCCCN)CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H36Cl3N5O/c1-20-26(28(37)33-16-6-4-8-18-35(2)17-7-3-5-15-32)34-36(25-14-13-23(30)19-24(25)31)27(20)21-9-11-22(29)12-10-21/h9-14,19H,3-8,15-18,32H2,1-2H3,(H,33,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.50E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328955
PNG
(CHEMBL1269764 | N,N'-(Iminodiethane-2,1-diyl)bis[5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCNCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C38H31Cl6N7O2/c1-21-33(48-50(31-13-11-27(41)19-29(31)43)35(21)23-3-7-25(39)8-4-23)37(52)46-17-15-45-16-18-47-38(53)34-22(2)36(24-5-9-26(40)10-6-24)51(49-34)32-14-12-28(42)20-30(32)44/h3-14,19-20,45H,15-18H2,1-2H3,(H,46,52)(H,47,53)
PDB

Reactome pathway
KEGG

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



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328964
PNG
(CHEMBL1269771 | N,N'-[(Methylimino)dinonane-9,1-di...)
Show SMILES CN(CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C53H61Cl6N7O2/c1-36-48(62-65(46-28-26-42(56)34-44(46)58)50(36)38-18-22-40(54)23-19-38)52(67)60-30-14-10-6-4-8-12-16-32-64(3)33-17-13-9-5-7-11-15-31-61-53(68)49-37(2)51(39-20-24-41(55)25-21-39)66(63-49)47-29-27-43(57)35-45(47)59/h18-29,34-35H,4-17,30-33H2,1-3H3,(H,60,67)(H,61,68)
PDB

Reactome pathway
KEGG

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



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328967
PNG
(CHEMBL1269776 | N-{11-[(11-Aminoundecyl)(methyl)am...)
Show SMILES CN(CCCCCCCCCCCN)CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C40H60Cl3N5O/c1-32-38(46-48(37-26-25-35(42)31-36(37)43)39(32)33-21-23-34(41)24-22-33)40(49)45-28-18-14-10-6-4-8-12-16-20-30-47(2)29-19-15-11-7-3-5-9-13-17-27-44/h21-26,31H,3-20,27-30,44H2,1-2H3,(H,45,49)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.77E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328969
PNG
(CHEMBL1270270 | N-{2-[(2-Aminoethyl)amino]ethyl}-5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCNCCN
Show InChI InChI=1S/C21H22Cl3N5O/c1-13-19(21(30)27-11-10-26-9-8-25)28-29(18-7-6-16(23)12-17(18)24)20(13)14-2-4-15(22)5-3-14/h2-7,12,26H,8-11,25H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.24E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328954
PNG
(CHEMBL1269019 | N,N'-(Iminodipropane-3,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCNCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C40H35Cl6N7O2/c1-23-35(50-52(33-15-13-29(43)21-31(33)45)37(23)25-5-9-27(41)10-6-25)39(54)48-19-3-17-47-18-4-20-49-40(55)36-24(2)38(26-7-11-28(42)12-8-26)53(51-36)34-16-14-30(44)22-32(34)46/h5-16,21-22,47H,3-4,17-20H2,1-2H3,(H,48,54)(H,49,55)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 718n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328953
PNG
(CHEMBL1269765 | N,N'-(Iminodipentane-5,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCNCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C44H43Cl6N7O2/c1-27-39(54-56(37-19-17-33(47)25-35(37)49)41(27)29-9-13-31(45)14-10-29)43(58)52-23-7-3-5-21-51-22-6-4-8-24-53-44(59)40-28(2)42(30-11-15-32(46)16-12-30)57(55-40)38-20-18-34(48)26-36(38)50/h9-20,25-26,51H,3-8,21-24H2,1-2H3,(H,52,58)(H,53,59)
PDB

Reactome pathway
KEGG

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



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328956
PNG
(CHEMBL1269774 | N-{11-[(11-Aminoundecyl)amino]unde...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCN
Show InChI InChI=1S/C39H58Cl3N5O/c1-31-37(46-47(36-25-24-34(41)30-35(36)42)38(31)32-20-22-33(40)23-21-32)39(48)45-29-19-15-11-7-3-6-10-14-18-28-44-27-17-13-9-5-2-4-8-12-16-26-43/h20-25,30,44H,2-19,26-29,43H2,1H3,(H,45,48)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.62E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328957
PNG
(CHEMBL1269773 | N-{9-[(9-Aminononyl)amino]nonyl}-5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCNCCCCCCCCCN
Show InChI InChI=1S/C35H50Cl3N5O/c1-27-33(42-43(32-21-20-30(37)26-31(32)38)34(27)28-16-18-29(36)19-17-28)35(44)41-25-15-11-7-3-6-10-14-24-40-23-13-9-5-2-4-8-12-22-39/h16-21,26,40H,2-15,22-25,39H2,1H3,(H,41,44)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.39E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328951
PNG
(CHEMBL1269767 | N,N'-(Iminodinonane-9,1-diyl)bis[5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCNCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C52H59Cl6N7O2/c1-35-47(62-64(45-27-25-41(55)33-43(45)57)49(35)37-17-21-39(53)22-18-37)51(66)60-31-15-11-7-3-5-9-13-29-59-30-14-10-6-4-8-12-16-32-61-52(67)48-36(2)50(38-19-23-40(54)24-20-38)65(63-48)46-28-26-42(56)34-44(46)58/h17-28,33-34,59H,3-16,29-32H2,1-2H3,(H,60,66)(H,61,67)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.34n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328952
PNG
(CHEMBL1269766 | N,N'-(Iminodiheptane-7,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C48H51Cl6N7O2/c1-31-43(58-60(41-23-21-37(51)29-39(41)53)45(31)33-13-17-35(49)18-14-33)47(62)56-27-11-7-3-5-9-25-55-26-10-6-4-8-12-28-57-48(63)44-32(2)46(34-15-19-36(50)20-16-34)61(59-44)42-24-22-38(52)30-40(42)54/h13-24,29-30,55H,3-12,25-28H2,1-2H3,(H,56,62)(H,57,63)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.19E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328966
PNG
(CHEMBL1269769 | N,N'-[(Methylimino)dipentane-5,1-d...)
Show SMILES CN(CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C45H45Cl6N7O2/c1-28-40(54-57(38-20-18-34(48)26-36(38)50)42(28)30-10-14-32(46)15-11-30)44(59)52-22-6-4-8-24-56(3)25-9-5-7-23-53-45(60)41-29(2)43(31-12-16-33(47)17-13-31)58(55-41)39-21-19-35(49)27-37(39)51/h10-21,26-27H,4-9,22-25H2,1-3H3,(H,52,59)(H,53,60)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 59.8n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human brain CB1 receptor assessed as inhibition for [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328963
PNG
(CHEMBL1269772 | N,N'-[(Methylimino)diundecane-11,1...)
Show SMILES CN(CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C57H69Cl6N7O2/c1-40-52(66-69(50-32-30-46(60)38-48(50)62)54(40)42-22-26-44(58)27-23-42)56(71)64-34-18-14-10-6-4-8-12-16-20-36-68(3)37-21-17-13-9-5-7-11-15-19-35-65-57(72)53-41(2)55(43-24-28-45(59)29-25-43)70(67-53)51-33-31-47(61)39-49(51)63/h22-33,38-39H,4-21,34-37H2,1-3H3,(H,64,71)(H,65,72)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human brain CB1 receptor assessed as inhibition for [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328958
PNG
(CHEMBL1270463 | N-{7-[(7-Aminoheptyl)amino]heptyl}...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCN
Show InChI InChI=1S/C31H42Cl3N5O/c1-23-29(31(40)37-21-11-7-3-6-10-20-36-19-9-5-2-4-8-18-35)38-39(28-17-16-26(33)22-27(28)34)30(23)24-12-14-25(32)15-13-24/h12-17,22,36H,2-11,18-21,35H2,1H3,(H,37,40)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.28E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328950
PNG
(CHEMBL1269768 | N,N'-(Iminodiundecane-11,1-diyl)bi...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C56H67Cl6N7O2/c1-39-51(66-68(49-31-29-45(59)37-47(49)61)53(39)41-21-25-43(57)26-22-41)55(70)64-35-19-15-11-7-3-5-9-13-17-33-63-34-18-14-10-6-4-8-12-16-20-36-65-56(71)52-40(2)54(42-23-27-44(58)28-24-42)69(67-52)50-32-30-46(60)38-48(50)62/h21-32,37-38,63H,3-20,33-36H2,1-2H3,(H,64,70)(H,65,71)
PDB

Reactome pathway
KEGG

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



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328965
PNG
(CHEMBL1269770 | N,N'-[(Methylimino)diheptane-7,1-d...)
Show SMILES CN(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C49H53Cl6N7O2/c1-32-44(58-61(42-24-22-38(52)30-40(42)54)46(32)34-14-18-36(50)19-15-34)48(63)56-26-10-6-4-8-12-28-60(3)29-13-9-5-7-11-27-57-49(64)45-33(2)47(35-16-20-37(51)21-17-35)62(59-45)43-25-23-39(53)31-41(43)55/h14-25,30-31H,4-13,26-29H2,1-3H3,(H,56,63)(H,57,64)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.46E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328951
PNG
(CHEMBL1269767 | N,N'-(Iminodinonane-9,1-diyl)bis[5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCNCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C52H59Cl6N7O2/c1-35-47(62-64(45-27-25-41(55)33-43(45)57)49(35)37-17-21-39(53)22-18-37)51(66)60-31-15-11-7-3-5-9-13-29-59-30-14-10-6-4-8-12-16-32-61-52(67)48-36(2)50(38-19-23-40(54)24-20-38)65(63-48)46-28-26-42(56)34-44(46)58/h17-28,33-34,59H,3-16,29-32H2,1-2H3,(H,60,66)(H,61,67)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 27.9n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human brain CB1 receptor assessed as inhibition for [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328954
PNG
(CHEMBL1269019 | N,N'-(Iminodipropane-3,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCNCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C40H35Cl6N7O2/c1-23-35(50-52(33-15-13-29(43)21-31(33)45)37(23)25-5-9-27(41)10-6-25)39(54)48-19-3-17-47-18-4-20-49-40(55)36-24(2)38(26-7-11-28(42)12-8-26)53(51-36)34-16-14-30(44)22-32(34)46/h5-16,21-22,47H,3-4,17-20H2,1-2H3,(H,48,54)(H,49,55)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 84.2n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human brain CB1 receptor assessed as inhibition for [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328955
PNG
(CHEMBL1269764 | N,N'-(Iminodiethane-2,1-diyl)bis[5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCNCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C38H31Cl6N7O2/c1-21-33(48-50(31-13-11-27(41)19-29(31)43)35(21)23-3-7-25(39)8-4-23)37(52)46-17-15-45-16-18-47-38(53)34-22(2)36(24-5-9-26(40)10-6-24)51(49-34)32-14-12-28(42)20-30(32)44/h3-14,19-20,45H,15-18H2,1-2H3,(H,46,52)(H,47,53)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human brain CB1 receptor assessed as inhibition for [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328966
PNG
(CHEMBL1269769 | N,N'-[(Methylimino)dipentane-5,1-d...)
Show SMILES CN(CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C45H45Cl6N7O2/c1-28-40(54-57(38-20-18-34(48)26-36(38)50)42(28)30-10-14-32(46)15-11-30)44(59)52-22-6-4-8-24-56(3)25-9-5-7-23-53-45(60)41-29(2)43(31-12-16-33(47)17-13-31)58(55-41)39-21-19-35(49)27-37(39)51/h10-21,26-27H,4-9,22-25H2,1-3H3,(H,52,59)(H,53,60)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.78n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328965
PNG
(CHEMBL1269770 | N,N'-[(Methylimino)diheptane-7,1-d...)
Show SMILES CN(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C49H53Cl6N7O2/c1-32-44(58-61(42-24-22-38(52)30-40(42)54)46(32)34-14-18-36(50)19-15-34)48(63)56-26-10-6-4-8-12-28-60(3)29-13-9-5-7-11-27-57-49(64)45-33(2)47(35-16-20-37(51)21-17-35)62(59-45)43-25-23-39(53)31-41(43)55/h14-25,30-31H,4-13,26-29H2,1-3H3,(H,56,63)(H,57,64)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.24E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human brain CB1 receptor assessed as inhibition for [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328968
PNG
(CHEMBL1270368 | N-{3-[(3-Aminopropyl)amino]propyl}...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCNCCCN
Show InChI InChI=1S/C23H26Cl3N5O/c1-15-21(23(32)29-13-3-12-28-11-2-10-27)30-31(20-9-8-18(25)14-19(20)26)22(15)16-4-6-17(24)7-5-16/h4-9,14,28H,2-3,10-13,27H2,1H3,(H,29,32)
PDB

Reactome pathway
KEGG

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



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
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/an/an/a 5.63E+4n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328963
PNG
(CHEMBL1269772 | N,N'-[(Methylimino)diundecane-11,1...)
Show SMILES CN(CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C57H69Cl6N7O2/c1-40-52(66-69(50-32-30-46(60)38-48(50)62)54(40)42-22-26-44(58)27-23-42)56(71)64-34-18-14-10-6-4-8-12-16-20-36-68(3)37-21-17-13-9-5-7-11-15-19-35-65-57(72)53-41(2)55(43-24-28-45(59)29-25-43)70(67-53)51-33-31-47(61)39-49(51)63/h22-33,38-39H,4-21,34-37H2,1-3H3,(H,64,71)(H,65,72)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 29.3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328964
PNG
(CHEMBL1269771 | N,N'-[(Methylimino)dinonane-9,1-di...)
Show SMILES CN(CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C53H61Cl6N7O2/c1-36-48(62-65(46-28-26-42(56)34-44(46)58)50(36)38-18-22-40(54)23-19-38)52(67)60-30-14-10-6-4-8-12-16-32-64(3)33-17-13-9-5-7-11-15-31-61-53(68)49-37(2)51(39-20-24-41(55)25-21-39)66(63-49)47-29-27-43(57)35-45(47)59/h18-29,34-35H,4-17,30-33H2,1-3H3,(H,60,67)(H,61,68)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 161n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human brain CB1 receptor assessed as inhibition for [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328950
PNG
(CHEMBL1269768 | N,N'-(Iminodiundecane-11,1-diyl)bi...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C56H67Cl6N7O2/c1-39-51(66-68(49-31-29-45(59)37-47(49)61)53(39)41-21-25-43(57)26-22-41)55(70)64-35-19-15-11-7-3-5-9-13-17-33-63-34-18-14-10-6-4-8-12-16-20-36-65-56(71)52-40(2)54(42-23-27-44(58)28-24-42)69(67-52)50-32-30-46(60)38-48(50)62/h21-32,37-38,63H,3-20,33-36H2,1-2H3,(H,64,70)(H,65,71)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human brain CB1 receptor assessed as inhibition for [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328952
PNG
(CHEMBL1269766 | N,N'-(Iminodiheptane-7,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCNCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C48H51Cl6N7O2/c1-31-43(58-60(41-23-21-37(51)29-39(41)53)45(31)33-13-17-35(49)18-14-33)47(62)56-27-11-7-3-5-9-25-55-26-10-6-4-8-12-28-57-48(63)44-32(2)46(34-15-19-36(50)20-16-34)61(59-44)42-24-22-38(52)30-40(42)54/h13-24,29-30,55H,3-12,25-28H2,1-2H3,(H,56,62)(H,57,63)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 179n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human brain CB1 receptor assessed as inhibition for [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50328953
PNG
(CHEMBL1269765 | N,N'-(Iminodipentane-5,1-diyl)bis[...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCNCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C44H43Cl6N7O2/c1-27-39(54-56(37-19-17-33(47)25-35(37)49)41(27)29-9-13-31(45)14-10-29)43(58)52-23-7-3-5-21-51-22-6-4-8-24-53-44(59)40-28(2)42(30-11-15-32(46)16-12-30)57(55-40)38-20-18-34(48)26-36(38)50/h9-20,25-26,51H,3-8,21-24H2,1-2H3,(H,52,58)(H,53,59)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 33n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human brain CB1 receptor assessed as inhibition for [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328960
PNG
(CHEMBL1269775 | N-{9-[(9-Aminononyl)(methyl)amino]...)
Show SMILES CN(CCCCCCCCCN)CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C36H52Cl3N5O/c1-28-34(42-44(33-22-21-31(38)27-32(33)39)35(28)29-17-19-30(37)20-18-29)36(45)41-24-14-10-6-4-8-12-16-26-43(2)25-15-11-7-3-5-9-13-23-40/h17-22,27H,3-16,23-26,40H2,1-2H3,(H,41,45)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.40E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328962
PNG
(CHEMBL1270563 | N-{5-[(5-Aminopentyl)(methyl)amino...)
Show SMILES CN(CCCCCN)CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H36Cl3N5O/c1-20-26(28(37)33-16-6-4-8-18-35(2)17-7-3-5-15-32)34-36(25-14-13-23(30)19-24(25)31)27(20)21-9-11-22(29)12-10-21/h9-14,19H,3-8,15-18,32H2,1-2H3,(H,33,37)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.04E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328961
PNG
(CHEMBL1270662 | N-{7-[(7-Aminoheptyl)(methyl)amino...)
Show SMILES CN(CCCCCCCN)CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C32H44Cl3N5O/c1-24-30(32(41)37-20-10-6-4-8-12-22-39(2)21-11-7-3-5-9-19-36)38-40(29-18-17-27(34)23-28(29)35)31(24)25-13-15-26(33)16-14-25/h13-18,23H,3-12,19-22,36H2,1-2H3,(H,37,41)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.37E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328959
PNG
(CHEMBL1270369 | N-{5-[(5-Aminopentyl)amino]pentyl}...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCNCCCCCN
Show InChI InChI=1S/C27H34Cl3N5O/c1-19-25(27(36)33-17-7-3-6-16-32-15-5-2-4-14-31)34-35(24-13-12-22(29)18-23(24)30)26(19)20-8-10-21(28)11-9-20/h8-13,18,32H,2-7,14-17,31H2,1H3,(H,33,36)
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.22E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding


J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%