BindingDB logo
myBDB logout

PubMed code 20047331

Compile data set for download or QSAR
Found 30 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))
BDBM50303835
PNG
(3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N...)
Show SMILES CN(C)CCCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:6.5,c:23|
Show InChI InChI=1S/C27H29Cl2N5O2S/c1-33(2)18-6-17-30-27(32-37(35,36)24-15-13-23(29)14-16-24)34-19-25(20-7-4-3-5-8-20)26(31-34)21-9-11-22(28)12-10-21/h3-5,7-16,25H,6,17-19H2,1-2H3,(H,30,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.10n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303837
PNG
(CHEMBL570623 | [3-(4-Chlorophenyl)-4-phenyl-4,5-di...)
Show SMILES CN(C)CCN1CCN(CC1)C(=NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:12.13,c:28|
Show InChI InChI=1S/C30H34Cl2N6O2S/c1-35(2)16-17-36-18-20-37(21-19-36)30(34-41(39,40)27-14-12-26(32)13-15-27)38-22-28(23-6-4-3-5-7-23)29(33-38)24-8-10-25(31)11-9-24/h3-15,28H,16-22H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.60n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303844
PNG
(1-(4-Chlorophenyl)-2-(2-chlorophenyl)-5-ethyl-N-(p...)
Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H24Cl2N4O/c1-2-20-21(23(30)27-28-14-6-3-7-15-28)26-22(18-8-4-5-9-19(18)25)29(20)17-12-10-16(24)11-13-17/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
14n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303836
PNG
(3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N...)
Show SMILES CN1CCC(CC1)N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:7.7,c:25|
Show InChI InChI=1S/C28H29Cl2N5O2S/c1-34-17-15-24(16-18-34)31-28(33-38(36,37)25-13-11-23(30)12-14-25)35-19-26(20-5-3-2-4-6-20)27(32-35)21-7-9-22(29)10-8-21/h2-14,24,26H,15-19H2,1H3,(H,31,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
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
25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303838
PNG
(3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N...)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(NS(=O)(=O)c1ccc(Cl)cc1)=NCCCCN1CCCC1 |w:30.34,t:8|
Show InChI InChI=1S/C30H33Cl2N5O2S/c31-25-12-10-24(11-13-25)29-28(23-8-2-1-3-9-23)22-37(34-29)30(33-18-4-5-19-36-20-6-7-21-36)35-40(38,39)27-16-14-26(32)15-17-27/h1-3,8-17,28H,4-7,18-22H2,(H,33,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
27n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303846
PNG
(CHEMBL585736 | [3-(4-Chlorophenyl)-4-phenyl-4,5-di...)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=NS(=O)(=O)c1ccc(Cl)cc1)N1CCS(=O)(=O)CC1 |w:19.22,t:8|
Show InChI InChI=1S/C26H24Cl2N4O4S2/c27-21-8-6-20(7-9-21)25-24(19-4-2-1-3-5-19)18-32(29-25)26(31-14-16-37(33,34)17-15-31)30-38(35,36)23-12-10-22(28)11-13-23/h1-13,24H,14-18H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
31n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303839
PNG
(4-Chloro-N-{[3-(4-chlorophenyl)-4-phenyl-4,5-dihyd...)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(NS(=O)(=O)c1ccc(Cl)cc1)=NCCCCNc1c2CCCCc2nc2ccccc12 |w:30.34,t:8|
Show InChI InChI=1S/C39H38Cl2N6O2S/c40-29-18-16-28(17-19-29)37-34(27-10-2-1-3-11-27)26-47(45-37)39(46-50(48,49)31-22-20-30(41)21-23-31)43-25-9-8-24-42-38-32-12-4-6-14-35(32)44-36-15-7-5-13-33(36)38/h1-4,6,10-12,14,16-23,34H,5,7-9,13,15,24-26H2,(H,42,44)(H,43,46)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
42n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303845
PNG
(3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N...)
Show SMILES CC(C)(O)CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:5.4,c:22|
Show InChI InChI=1S/C26H26Cl2N4O3S/c1-26(2,33)17-29-25(31-36(34,35)22-14-12-21(28)13-15-22)32-16-23(18-6-4-3-5-7-18)24(30-32)19-8-10-20(27)11-9-19/h3-15,23,33H,16-17H2,1-2H3,(H,29,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
43n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303841
PNG
(CHEMBL570159 | N-[4-(1,2,3,4-Tetrahydroacridin-9-y...)
Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H35Cl2N5O/c1-2-31-33(41-34(25-11-3-6-14-28(25)37)42(31)24-19-17-23(36)18-20-24)35(43)39-22-10-9-21-38-32-26-12-4-7-15-29(26)40-30-16-8-5-13-27(30)32/h3-4,6-7,11-12,14-15,17-20H,2,5,8-10,13,16,21-22H2,1H3,(H,38,40)(H,39,43)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
48n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303840
PNG
(4-Chloro-N-{[3-(4-chlorophenyl)-4-phenyl-4,5-dihyd...)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(NS(=O)(=O)c1ccc(Cl)cc1)=NCCCCCCCNc1c2CCCCc2nc2ccccc12 |w:30.34,t:8|
Show InChI InChI=1S/C42H44Cl2N6O2S/c43-32-21-19-31(20-22-32)40-37(30-13-5-4-6-14-30)29-50(48-40)42(49-53(51,52)34-25-23-33(44)24-26-34)46-28-12-3-1-2-11-27-45-41-35-15-7-9-17-38(35)47-39-18-10-8-16-36(39)41/h4-7,9,13-15,17,19-26,37H,1-3,8,10-12,16,18,27-29H2,(H,45,47)(H,46,49)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
54n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303842
PNG
(CHEMBL567532 | N-[7-(1,2,3,4-Tetrahydroacridin-9-y...)
Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C38H41Cl2N5O/c1-2-34-36(44-37(28-14-6-9-17-31(28)40)45(34)27-22-20-26(39)21-23-27)38(46)42-25-13-5-3-4-12-24-41-35-29-15-7-10-18-32(29)43-33-19-11-8-16-30(33)35/h6-7,9-10,14-15,17-18,20-23H,2-5,8,11-13,16,19,24-25H2,1H3,(H,41,43)(H,42,46)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
88n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303846
PNG
(CHEMBL585736 | [3-(4-Chlorophenyl)-4-phenyl-4,5-di...)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=NS(=O)(=O)c1ccc(Cl)cc1)N1CCS(=O)(=O)CC1 |w:19.22,t:8|
Show InChI InChI=1S/C26H24Cl2N4O4S2/c27-21-8-6-20(7-9-21)25-24(19-4-2-1-3-5-19)18-32(29-25)26(31-14-16-37(33,34)17-15-31)30-38(35,36)23-12-10-22(28)11-13-23/h1-13,24H,14-18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
571n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303843
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES CCC(=O)N(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C40H48Cl3N5O2/c1-3-37(49)47(34-21-26-46(27-22-34)25-20-30-12-8-7-9-13-30)24-11-6-4-5-10-23-44-40(50)38-29(2)39(31-14-16-32(41)17-15-31)48(45-38)36-19-18-33(42)28-35(36)43/h7-9,12-19,28,34H,3-6,10-11,20-27H2,1-2H3,(H,44,50)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
701n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303840
PNG
(4-Chloro-N-{[3-(4-chlorophenyl)-4-phenyl-4,5-dihyd...)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(NS(=O)(=O)c1ccc(Cl)cc1)=NCCCCCCCNc1c2CCCCc2nc2ccccc12 |w:30.34,t:8|
Show InChI InChI=1S/C42H44Cl2N6O2S/c43-32-21-19-31(20-22-32)40-37(30-13-5-4-6-14-30)29-50(48-40)42(49-53(51,52)34-25-23-33(44)24-26-34)46-28-12-3-1-2-11-27-45-41-35-15-7-9-17-38(35)47-39-18-10-8-16-36(39)41/h4-7,9,13-15,17,19-26,37H,1-3,8,10-12,16,18,27-29H2,(H,45,47)(H,46,49)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303841
PNG
(CHEMBL570159 | N-[4-(1,2,3,4-Tetrahydroacridin-9-y...)
Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H35Cl2N5O/c1-2-31-33(41-34(25-11-3-6-14-28(25)37)42(31)24-19-17-23(36)18-20-24)35(43)39-22-10-9-21-38-32-26-12-4-7-15-29(26)40-30-16-8-5-13-27(30)32/h3-4,6-7,11-12,14-15,17-20H,2,5,8-10,13,16,21-22H2,1H3,(H,38,40)(H,39,43)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303844
PNG
(1-(4-Chlorophenyl)-2-(2-chlorophenyl)-5-ethyl-N-(p...)
Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H24Cl2N4O/c1-2-20-21(23(30)27-28-14-6-3-7-15-28)26-22(18-8-4-5-9-19(18)25)29(20)17-12-10-16(24)11-13-17/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303839
PNG
(4-Chloro-N-{[3-(4-chlorophenyl)-4-phenyl-4,5-dihyd...)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(NS(=O)(=O)c1ccc(Cl)cc1)=NCCCCNc1c2CCCCc2nc2ccccc12 |w:30.34,t:8|
Show InChI InChI=1S/C39H38Cl2N6O2S/c40-29-18-16-28(17-19-29)37-34(27-10-2-1-3-11-27)26-47(45-37)39(46-50(48,49)31-22-20-30(41)21-23-31)43-25-9-8-24-42-38-32-12-4-6-14-35(32)44-36-15-7-5-13-33(36)38/h1-4,6,10-12,14,16-23,34H,5,7-9,13,15,24-26H2,(H,42,44)(H,43,46)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303845
PNG
(3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N...)
Show SMILES CC(C)(O)CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:5.4,c:22|
Show InChI InChI=1S/C26H26Cl2N4O3S/c1-26(2,33)17-29-25(31-36(34,35)22-14-12-21(28)13-15-22)32-16-23(18-6-4-3-5-7-18)24(30-32)19-8-10-20(27)11-9-19/h3-15,23,33H,16-17H2,1-2H3,(H,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303842
PNG
(CHEMBL567532 | N-[7-(1,2,3,4-Tetrahydroacridin-9-y...)
Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C38H41Cl2N5O/c1-2-34-36(44-37(28-14-6-9-17-31(28)40)45(34)27-22-20-26(39)21-23-27)38(46)42-25-13-5-3-4-12-24-41-35-29-15-7-10-18-32(29)43-33-19-11-8-16-30(33)35/h6-7,9-10,14-15,17-18,20-23H,2-5,8,11-13,16,19,24-25H2,1H3,(H,41,43)(H,42,46)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303836
PNG
(3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N...)
Show SMILES CN1CCC(CC1)N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:7.7,c:25|
Show InChI InChI=1S/C28H29Cl2N5O2S/c1-34-17-15-24(16-18-34)31-28(33-38(36,37)25-13-11-23(30)12-14-25)35-19-26(20-5-3-2-4-6-20)27(32-35)21-7-9-22(29)10-8-21/h2-14,24,26H,15-19H2,1H3,(H,31,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303838
PNG
(3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N...)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(NS(=O)(=O)c1ccc(Cl)cc1)=NCCCCN1CCCC1 |w:30.34,t:8|
Show InChI InChI=1S/C30H33Cl2N5O2S/c31-25-12-10-24(11-13-25)29-28(23-8-2-1-3-9-23)22-37(34-29)30(33-18-4-5-19-36-20-6-7-21-36)35-40(38,39)27-16-14-26(32)15-17-27/h1-3,8-17,28H,4-7,18-22H2,(H,33,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303835
PNG
(3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N...)
Show SMILES CN(C)CCCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:6.5,c:23|
Show InChI InChI=1S/C27H29Cl2N5O2S/c1-33(2)18-6-17-30-27(32-37(35,36)24-15-13-23(29)14-16-24)34-19-25(20-7-4-3-5-8-20)26(31-34)21-9-11-22(28)12-10-21/h3-5,7-16,25H,6,17-19H2,1-2H3,(H,30,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303837
PNG
(CHEMBL570623 | [3-(4-Chlorophenyl)-4-phenyl-4,5-di...)
Show SMILES CN(C)CCN1CCN(CC1)C(=NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:12.13,c:28|
Show InChI InChI=1S/C30H34Cl2N6O2S/c1-35(2)16-17-36-18-20-37(21-19-36)30(34-41(39,40)27-14-12-26(32)13-15-27)38-22-28(23-6-4-3-5-7-23)29(33-38)24-8-10-25(31)11-9-24/h3-15,28H,16-22H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
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
1.58E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


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


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303843
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES CCC(=O)N(CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C40H48Cl3N5O2/c1-3-37(49)47(34-21-26-46(27-22-34)25-20-30-12-8-7-9-13-30)24-11-6-4-5-10-23-44-40(50)38-29(2)39(31-14-16-32(41)17-15-31)48(45-38)36-19-18-33(42)28-35(36)43/h7-9,12-19,28,34H,3-6,10-11,20-27H2,1-2H3,(H,44,50)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.54E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%