Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50040074 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388901
(CHEMBL2063237)Show SMILES CC(C)C(=O)N[C@@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388885
(CHEMBL2063238)Show SMILES CC(C)C(=O)N[C@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388902
(CHEMBL2063239)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3CCCCC3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C26H27Cl2N3O2/c27-19-14-12-17(13-15-19)24-25-23(30-31(24)22-11-5-4-9-20(22)28)21(10-6-16-33-25)29-26(32)18-7-2-1-3-8-18/h4-5,9,11-15,18,21H,1-3,6-8,10,16H2,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388887
(CHEMBL2063240)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3CCOCC3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C25H25Cl2N3O3/c26-18-9-7-16(8-10-18)23-24-22(29-30(23)21-6-2-1-4-19(21)27)20(5-3-13-33-24)28-25(31)17-11-14-32-15-12-17/h1-2,4,6-10,17,20H,3,5,11-15H2,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388893
(CHEMBL2063246)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3(CC3)C#N)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C24H20Cl2N4O2/c25-16-9-7-15(8-10-16)21-22-20(29-30(21)19-6-2-1-4-17(19)26)18(5-3-13-32-22)28-23(31)24(14-27)11-12-24/h1-2,4,6-10,18H,3,5,11-13H2,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388896
(CHEMBL2063249)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)c3cnon3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C22H17Cl2N5O3/c23-14-9-7-13(8-10-14)20-21-19(27-29(20)18-6-2-1-4-15(18)24)16(5-3-11-31-21)26-22(30)17-12-25-32-28-17/h1-2,4,6-10,12,16H,3,5,11H2,(H,26,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388887
(CHEMBL2063240)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3CCOCC3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C25H25Cl2N3O3/c26-18-9-7-16(8-10-18)23-24-22(29-30(23)21-6-2-1-4-19(21)27)20(5-3-13-33-24)28-25(31)17-11-14-32-15-12-17/h1-2,4,6-10,17,20H,3,5,11-15H2,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388892
(CHEMBL2063245)Show SMILES CCNC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C22H22Cl2N4O2/c1-2-25-22(29)26-17-7-5-13-30-21-19(17)27-28(18-8-4-3-6-16(18)24)20(21)14-9-11-15(23)12-10-14/h3-4,6,8-12,17H,2,5,7,13H2,1H3,(H2,25,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388900
(CHEMBL2063235)Show SMILES CCC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C22H21Cl2N3O2/c1-2-19(28)25-17-7-5-13-29-22-20(17)26-27(18-8-4-3-6-16(18)24)21(22)14-9-11-15(23)12-10-14/h3-4,6,8-12,17H,2,5,7,13H2,1H3,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388892
(CHEMBL2063245)Show SMILES CCNC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C22H22Cl2N4O2/c1-2-25-22(29)26-17-7-5-13-30-21-19(17)27-28(18-8-4-3-6-16(18)24)20(21)14-9-11-15(23)12-10-14/h3-4,6,8-12,17H,2,5,7,13H2,1H3,(H2,25,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388891
(CHEMBL2063244)Show SMILES CC(C)OC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C23H23Cl2N3O3/c1-14(2)31-23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388893
(CHEMBL2063246)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3(CC3)C#N)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C24H20Cl2N4O2/c25-16-9-7-15(8-10-16)21-22-20(29-30(21)19-6-2-1-4-17(19)26)18(5-3-13-32-22)28-23(31)24(14-27)11-12-24/h1-2,4,6-10,18H,3,5,11-13H2,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388901
(CHEMBL2063237)Show SMILES CC(C)C(=O)N[C@@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388885
(CHEMBL2063238)Show SMILES CC(C)C(=O)N[C@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388895
(CHEMBL2063248)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)c3ccno3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C23H18Cl2N4O3/c24-15-9-7-14(8-10-15)21-22-20(28-29(21)18-6-2-1-4-16(18)25)17(5-3-13-31-22)27-23(30)19-11-12-26-32-19/h1-2,4,6-12,17H,3,5,13H2,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388890
(CHEMBL2063243)Show SMILES COC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C21H19Cl2N3O3/c1-28-21(27)24-16-6-4-12-29-20-18(16)25-26(17-7-3-2-5-15(17)23)19(20)13-8-10-14(22)11-9-13/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388891
(CHEMBL2063244)Show SMILES CC(C)OC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C23H23Cl2N3O3/c1-14(2)31-23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388894
(CHEMBL2063247)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)c3ccon3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C23H18Cl2N4O3/c24-15-9-7-14(8-10-15)21-22-20(27-29(21)19-6-2-1-4-16(19)25)17(5-3-12-31-22)26-23(30)18-11-13-32-28-18/h1-2,4,6-11,13,17H,3,5,12H2,(H,26,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388900
(CHEMBL2063235)Show SMILES CCC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C22H21Cl2N3O2/c1-2-19(28)25-17-7-5-13-29-22-20(17)26-27(18-8-4-3-6-16(18)24)21(22)14-9-11-15(23)12-10-14/h3-4,6,8-12,17H,2,5,7,13H2,1H3,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388897
(CHEMBL2063250)Show SMILES CS(=O)(=O)CC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C22H21Cl2N3O4S/c1-32(29,30)13-19(28)25-17-6-4-12-31-22-20(17)26-27(18-7-3-2-5-16(18)24)21(22)14-8-10-15(23)11-9-14/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388895
(CHEMBL2063248)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)c3ccno3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C23H18Cl2N4O3/c24-15-9-7-14(8-10-15)21-22-20(28-29(21)18-6-2-1-4-16(18)25)17(5-3-13-31-22)27-23(30)19-11-12-26-32-19/h1-2,4,6-12,17H,3,5,13H2,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388889
(CHEMBL2063242)Show SMILES CCOCC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C23H23Cl2N3O3/c1-2-30-14-20(29)26-18-7-5-13-31-23-21(18)27-28(19-8-4-3-6-17(19)25)22(23)15-9-11-16(24)12-10-15/h3-4,6,8-12,18H,2,5,7,13-14H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388902
(CHEMBL2063239)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3CCCCC3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C26H27Cl2N3O2/c27-19-14-12-17(13-15-19)24-25-23(30-31(24)22-11-5-4-9-20(22)28)21(10-6-16-33-25)29-26(32)18-7-2-1-3-8-18/h4-5,9,11-15,18,21H,1-3,6-8,10,16H2,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388890
(CHEMBL2063243)Show SMILES COC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C21H19Cl2N3O3/c1-28-21(27)24-16-6-4-12-29-20-18(16)25-26(17-7-3-2-5-15(17)23)19(20)13-8-10-14(22)11-9-13/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388886
(CHEMBL2063122)Show SMILES CC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C21H19Cl2N3O2/c1-13(27)24-17-6-4-12-28-21-19(17)25-26(18-7-3-2-5-16(18)23)20(21)14-8-10-15(22)11-9-14/h2-3,5,7-11,17H,4,6,12H2,1H3,(H,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM29075
(PF-514273)Show SMILES CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388897
(CHEMBL2063250)Show SMILES CS(=O)(=O)CC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C22H21Cl2N3O4S/c1-32(29,30)13-19(28)25-17-6-4-12-31-22-20(17)26-27(18-7-3-2-5-16(18)24)21(22)14-8-10-15(23)11-9-14/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388886
(CHEMBL2063122)Show SMILES CC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C21H19Cl2N3O2/c1-13(27)24-17-6-4-12-28-21-19(17)25-26(18-7-3-2-5-16(18)23)20(21)14-8-10-15(22)11-9-14/h2-3,5,7-11,17H,4,6,12H2,1H3,(H,24,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388884
(CHEMBL2063252)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(N3CCCC3=O)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C23H21Cl2N3O2/c24-16-11-9-15(10-12-16)22-23-21(26-28(22)18-6-2-1-5-17(18)25)19(7-4-14-30-23)27-13-3-8-20(27)29/h1-2,5-6,9-12,19H,3-4,7-8,13-14H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM29075
(PF-514273)Show SMILES CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388889
(CHEMBL2063242)Show SMILES CCOCC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C23H23Cl2N3O3/c1-2-30-14-20(29)26-18-7-5-13-31-23-21(18)27-28(19-8-4-3-6-17(19)25)22(23)15-9-11-16(24)12-10-15/h3-4,6,8-12,18H,2,5,7,13-14H2,1H3,(H,26,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388888
(CHEMBL2063241)Show SMILES COCC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C22H21Cl2N3O3/c1-29-13-19(28)25-17-6-4-12-30-22-20(17)26-27(18-7-3-2-5-16(18)24)21(22)14-8-10-15(23)11-9-14/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388894
(CHEMBL2063247)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)c3ccon3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C23H18Cl2N4O3/c24-15-9-7-14(8-10-15)21-22-20(27-29(21)19-6-2-1-4-16(19)25)17(5-3-12-31-22)26-23(30)18-11-13-32-28-18/h1-2,4,6-11,13,17H,3,5,12H2,(H,26,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388896
(CHEMBL2063249)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)c3cnon3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C22H17Cl2N5O3/c23-14-9-7-13(8-10-14)20-21-19(27-29(20)18-6-2-1-4-15(18)24)16(5-3-11-31-21)26-22(30)17-12-25-32-28-17/h1-2,4,6-10,12,16H,3,5,11H2,(H,26,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388883
(CHEMBL2063251)Show SMILES CC(C)C(=O)N(C)C1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H25Cl2N3O2/c1-15(2)24(30)28(3)20-9-6-14-31-23-21(20)27-29(19-8-5-4-7-18(19)26)22(23)16-10-12-17(25)13-11-16/h4-5,7-8,10-13,15,20H,6,9,14H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388883
(CHEMBL2063251)Show SMILES CC(C)C(=O)N(C)C1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H25Cl2N3O2/c1-15(2)24(30)28(3)20-9-6-14-31-23-21(20)27-29(19-8-5-4-7-18(19)26)22(23)16-10-12-17(25)13-11-16/h4-5,7-8,10-13,15,20H,6,9,14H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388885
(CHEMBL2063238)Show SMILES CC(C)C(=O)N[C@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388888
(CHEMBL2063241)Show SMILES COCC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C22H21Cl2N3O3/c1-29-13-19(28)25-17-6-4-12-30-22-20(17)26-27(18-7-3-2-5-16(18)24)21(22)14-8-10-15(23)11-9-14/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,25,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388884
(CHEMBL2063252)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(N3CCCC3=O)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C23H21Cl2N3O2/c24-16-11-9-15(10-12-16)22-23-21(26-28(22)18-6-2-1-5-17(18)25)19(7-4-14-30-23)27-13-3-8-20(27)29/h1-2,5-6,9-12,19H,3-4,7-8,13-14H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388885
(CHEMBL2063238)Show SMILES CC(C)C(=O)N[C@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1... |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388899
(CHEMBL2063121)Show InChI InChI=1S/C20H19Cl2N3O/c1-23-16-6-4-12-26-20-18(16)24-25(17-7-3-2-5-15(17)22)19(20)13-8-10-14(21)11-9-13/h2-3,5,7-11,16,23H,4,6,12H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50388898
(CHEMBL2063120)Show InChI InChI=1S/C19H17Cl2N3O/c20-13-9-7-12(8-10-13)18-19-17(15(22)5-3-11-25-19)23-24(18)16-6-2-1-4-14(16)21/h1-2,4,6-10,15H,3,5,11,22H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21278
(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
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 522 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50388902
(CHEMBL2063239)Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3CCCCC3)c2nn1-c1ccccc1Cl Show InChI InChI=1S/C26H27Cl2N3O2/c27-19-14-12-17(13-15-19)24-25-23(30-31(24)22-11-5-4-9-20(22)28)21(10-6-16-33-25)29-26(32)18-7-2-1-3-8-18/h4-5,9,11-15,18,21H,1-3,6-8,10,16H2,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 953 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50388901
(CHEMBL2063237)Show SMILES CC(C)C(=O)N[C@@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50388885
(CHEMBL2063238)Show SMILES CC(C)C(=O)N[C@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50388889
(CHEMBL2063242)Show SMILES CCOCC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C23H23Cl2N3O3/c1-2-30-14-20(29)26-18-7-5-13-31-23-21(18)27-28(19-8-4-3-6-17(19)25)22(23)15-9-11-16(24)12-10-15/h3-4,6,8-12,18H,2,5,7,13-14H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50388883
(CHEMBL2063251)Show SMILES CC(C)C(=O)N(C)C1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C24H25Cl2N3O2/c1-15(2)24(30)28(3)20-9-6-14-31-23-21(20)27-29(19-8-5-4-7-18(19)26)22(23)16-10-12-17(25)13-11-16/h4-5,7-8,10-13,15,20H,6,9,14H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells after 60 mins by beta counting |
ACS Med Chem Lett 3: 397-401 (2012)
Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD |
More data for this
Ligand-Target Pair | |
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