BindingDB logo
myBDB logout

PubMed code 19406638

Compile data set for download or QSAR
Found 35 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))
BDBM50200841
PNG
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 0.302n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50200844
PNG
(CHEMBL219480 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cc(F)cc(F)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H26ClF2NO2/c1-17(30-25(31)26(2,3)32-23-15-21(28)14-22(29)16-23)24(19-7-5-4-6-8-19)13-18-9-11-20(27)12-10-18/h4-12,14-17,24H,13H2,1-3H3,(H,30,31)/t17-,24+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.12n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50200836
PNG
(CHEMBL387027 | N-[(1S,2S)-3-(4-chlorophenyl)-1-met...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H26Cl2N2O2/c1-17(29-24(30)25(2,3)31-23-14-13-21(27)16-28-23)22(19-7-5-4-6-8-19)15-18-9-11-20(26)12-10-18/h4-14,16-17,22H,15H2,1-3H3,(H,29,30)/t17-,22+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.32n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50200830
PNG
(CHEMBL385033 | N-[(1S,2S)-3-(4-chlorophenyl)-1-met...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H27Cl2NO2/c1-18(29-25(30)26(2,3)31-23-11-7-10-22(28)17-23)24(20-8-5-4-6-9-20)16-19-12-14-21(27)15-13-19/h4-15,17-18,24H,16H2,1-3H3,(H,29,30)/t18-,24+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.51n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
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
n/an/a 1.91n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50413757
PNG
(CHEMBL511907)
Show SMILES CC(C)(C)c1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H27Cl3N4O/c1-25(2,3)21-22(24(33)30-31-13-5-4-6-14-31)29-32(20-12-11-18(27)15-19(20)28)23(21)16-7-9-17(26)10-8-16/h7-12,15H,4-6,13-14H2,1-3H3,(H,30,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.17n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160112
PNG
(6-(2,4-Dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)...)
Show SMILES Cc1ccc(cc1)-c1cc(C#N)c(OCc2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H16Cl2F2N2O/c1-15-2-5-17(6-3-15)21-11-18(13-31)26(33-14-16-4-9-23(29)24(30)10-16)32-25(21)20-8-7-19(27)12-22(20)28/h2-12H,14H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.31n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM35873
PNG
(5,6-bis(4-chlorophenyl)-N-(piperidin-1-yl)pyrazine...)
Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H20Cl2N4O/c23-17-8-4-15(5-9-17)20-21(16-6-10-18(24)11-7-16)26-19(14-25-20)22(29)27-28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,27,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.13n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM35871
PNG
(5,6-di-p-tolyl-pyrazine-2-carboxylic acid piperidi...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C24H26N4O/c1-17-6-10-19(11-7-17)22-23(20-12-8-18(2)9-13-20)26-21(16-25-22)24(29)27-28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12.0n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM35877
PNG
(5,6-bis-(4-methoxy-phenyl)-pyrazine-2-carboxylicac...)
Show SMILES COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C25H27N3O3/c1-30-20-12-8-17(9-13-20)23-24(18-10-14-21(31-2)15-11-18)28-22(16-26-23)25(29)27-19-6-4-3-5-7-19/h8-16,19H,3-7H2,1-2H3,(H,27,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16.2n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50413758
PNG
(CHEMBL2113258)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccncc1)[C@H](Cc1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27ClN2O2/c1-18(28-24(29)25(2,3)30-22-13-15-27-16-14-22)23(20-7-5-4-6-8-20)17-19-9-11-21(26)12-10-19/h4-16,18,23H,17H2,1-3H3,(H,28,29)/t18-,23-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17.0n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205184
PNG
(CHEMBL230927 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)Cc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H23ClN2O2S/c1-18(27-30(28,29)17-20-6-3-2-4-7-20)24(15-19-10-12-23(25)13-11-19)22-9-5-8-21(14-22)16-26/h2-14,18,24,27H,15,17H2,1H3/t18-,24+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 20.9n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176425
PNG
(CHEMBL265787 | N-(6-(4-chlorophenyl)-3-cyano-7-(2,...)
Show SMILES CC(=O)Nc1c(C#N)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H15Cl3N4O2/c1-12(32)29-22-18-10-17(13-3-5-14(25)6-4-13)21(16-8-7-15(26)9-20(16)27)30-23(18)31(2)24(33)19(22)11-28/h3-10H,1-2H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 35.5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM35872
PNG
(5,6-bis(4-methoxyphenyl)-N-(piperidin-1-yl)pyrazin...)
Show SMILES COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C24H26N4O3/c1-30-19-10-6-17(7-11-19)22-23(18-8-12-20(31-2)13-9-18)26-21(16-25-22)24(29)27-28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42.7n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176421
PNG
(CHEMBL204391 | N-(6-(4-chlorophenyl)-7-(2,4-dichlo...)
Show SMILES CC(=O)Nc1cc(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H16Cl3N3O2/c1-12(30)27-20-11-21(31)29(2)23-18(20)10-17(13-3-5-14(24)6-4-13)22(28-23)16-8-7-15(25)9-19(16)26/h3-11H,1-2H3,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 112n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161553
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1
Show InChI InChI=1S/C21H19Cl3N4O2/c1-27-19(13-2-4-14(22)5-3-13)18(16-7-6-15(23)12-17(16)24)25-20(27)21(29)26-28-8-10-30-11-9-28/h2-7,12H,8-11H2,1H3,(H,26,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM35882
PNG
(5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carbox...)
Show SMILES COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H21N3O3/c1-30-20-12-8-17(9-13-20)23-24(18-10-14-21(31-2)15-11-18)28-22(16-26-23)25(29)27-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,27,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM35874
PNG
(5,6-bis(2-chlorophenyl)-N-(piperidin-1-yl)pyrazine...)
Show SMILES Clc1ccccc1-c1ncc(nc1-c1ccccc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H20Cl2N4O/c23-17-10-4-2-8-15(17)20-21(16-9-3-5-11-18(16)24)26-19(14-25-20)22(29)27-28-12-6-1-7-13-28/h2-5,8-11,14H,1,6-7,12-13H2,(H,27,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 355n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50413753
PNG
(CHEMBL468931)
Show SMILES CC(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccccc1Cl
Show InChI InChI=1S/C21H25Cl2N3O/c1-15(2)24-21(27)26-13-11-25(12-14-26)20(16-7-9-17(22)10-8-16)18-5-3-4-6-19(18)23/h3-10,15,20H,11-14H2,1-2H3,(H,24,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 398n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161555
PNG
(1-Methyl-4,5-di-p-tolyl-1H-imidazole-2-carboxylic ...)
Show SMILES Cc1ccc(cc1)-c1nc(C(=O)NN2CCCCC2)n(C)c1-c1ccc(C)cc1
Show InChI InChI=1S/C24H28N4O/c1-17-7-11-19(12-8-17)21-22(20-13-9-18(2)10-14-20)27(3)23(25-21)24(29)26-28-15-5-4-6-16-28/h7-14H,4-6,15-16H2,1-3H3,(H,26,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 468n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50413754
PNG
(CHEMBL512643)
Show SMILES CC(C)NC(=O)N1CCN(CC1)C(c1ccc(Br)cc1)c1ccccc1Cl
Show InChI InChI=1S/C21H25BrClN3O/c1-15(2)24-21(27)26-13-11-25(12-14-26)20(16-7-9-17(22)10-8-16)18-5-3-4-6-19(18)23/h3-10,15,20H,11-14H2,1-2H3,(H,24,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 776n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM35869
PNG
(5,6-diaryl-pyrazine-2-amide derivative, 5a | 5,6-d...)
Show SMILES O=C(NN1CCCCC1)c1cnc(-c2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C22H22N4O/c27-22(25-26-14-8-3-9-15-26)19-16-23-20(17-10-4-1-5-11-17)21(24-19)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,25,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.55E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205171
PNG
(CHEMBL230182 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)C(C)(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H25ClN2O2S/c1-15(24-27(25,26)21(2,3)4)20(13-16-8-10-19(22)11-9-16)18-7-5-6-17(12-18)14-23/h5-12,15,20,24H,13H2,1-4H3/t15-,20+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161575
PNG
(1-Methyl-4,5-diphenyl-1H-imidazole-2-carboxylic ac...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H25N3O/c1-26-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)25-22(26)23(27)24-19-15-9-4-10-16-19/h2-3,5-8,11-14,19H,4,9-10,15-16H2,1H3,(H,24,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.82E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161567
PNG
(1-Methyl-4,5-diphenyl-1H-imidazole-2-carboxylic ac...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H24N4O/c1-25-20(18-13-7-3-8-14-18)19(17-11-5-2-6-12-17)23-21(25)22(27)24-26-15-9-4-10-16-26/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3,(H,24,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.91E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205180
PNG
(CHEMBL397690 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(C)(=O)=O)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C18H19ClN2O2S/c1-13(21-24(2,22)23)18(11-14-6-8-17(19)9-7-14)16-5-3-4-15(10-16)12-20/h3-10,13,18,21H,11H2,1-2H3/t13-,18+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.04E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50413755
PNG
(CHEMBL469131)
Show SMILES CC(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccccc1C
Show InChI InChI=1S/C22H28ClN3O/c1-16(2)24-22(27)26-14-12-25(13-15-26)21(18-8-10-19(23)11-9-18)20-7-5-4-6-17(20)3/h4-11,16,21H,12-15H2,1-3H3,(H,24,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.19E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161574
PNG
(4,5-Bis-(4-chloro-phenyl)-oxazole-2-carboxylic aci...)
Show SMILES Clc1ccc(cc1)-c1nc(oc1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H19Cl2N3O2/c22-16-8-4-14(5-9-16)18-19(15-6-10-17(23)11-7-15)28-21(24-18)20(27)25-26-12-2-1-3-13-26/h4-11H,1-3,12-13H2,(H,25,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160114
PNG
(2-(benzyloxy)-6-(4-chlorophenyl)-5-phenylnicotinon...)
Show SMILES Clc1ccc(cc1)-c1nc(OCc2ccccc2)c(cc1-c1ccccc1)C#N
Show InChI InChI=1S/C25H17ClN2O/c26-22-13-11-20(12-14-22)24-23(19-9-5-2-6-10-19)15-21(16-27)25(28-24)29-17-18-7-3-1-4-8-18/h1-15H,17H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.82E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50413756
PNG
(CHEMBL513683)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NCC1CCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27Cl2N3O/c24-20-8-4-18(5-9-20)22(19-6-10-21(25)11-7-19)27-12-14-28(15-13-27)23(29)26-16-17-2-1-3-17/h4-11,17,22H,1-3,12-16H2,(H,26,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.47E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161573
PNG
((1-Methyl-4,5-di-p-tolyl-1H-imidazol-2-yl)-piperid...)
Show SMILES Cc1ccc(cc1)-c1nc(C(=O)N2CCCCC2)n(C)c1-c1ccc(C)cc1
Show InChI InChI=1S/C24H27N3O/c1-17-7-11-19(12-8-17)21-22(20-13-9-18(2)10-14-20)26(3)23(25-21)24(28)27-15-5-4-6-16-27/h7-14H,4-6,15-16H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.47E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM35880
PNG
(5,6-diaryl-pyrazine-2-amide derivative, 7a | 5,6-d...)
Show SMILES O=C(Nc1ccccc1)c1cnc(-c2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C23H17N3O/c27-23(25-19-14-8-3-9-15-19)20-16-24-21(17-10-4-1-5-11-17)22(26-20)18-12-6-2-7-13-18/h1-16H,(H,25,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.62E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161561
PNG
(4,5-Bis-(4-chloro-phenyl)-1H-imidazole-2-carboxyli...)
Show SMILES Clc1ccc(cc1)-c1nc([nH]c1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H20Cl2N4O/c22-16-8-4-14(5-9-16)18-19(15-6-10-17(23)11-7-15)25-20(24-18)21(28)26-27-12-2-1-3-13-27/h4-11H,1-3,12-13H2,(H,24,25)(H,26,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.03E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50413759
PNG
(CHEMBL467263)
Show SMILES CC(C)NC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H25ClF3N3O/c1-15(2)27-21(30)29-13-11-28(12-14-29)20(16-7-9-17(23)10-8-16)18-5-3-4-6-19(18)22(24,25)26/h3-10,15,20H,11-14H2,1-2H3,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.61E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161564
PNG
((1-Methyl-4,5-diphenyl-1H-imidazol-2-yl)-piperidin...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H23N3O/c1-24-20(18-13-7-3-8-14-18)19(17-11-5-2-6-12-17)23-21(24)22(26)25-15-9-4-10-16-25/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.91E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant cannabinoid-1 receptor


Bioorg Med Chem Lett 19: 2990-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.037
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%