Found 413 hits with Last Name = 'scott' and Initial = 'do' 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)) | BDBM50176411
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)Show SMILES FC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl Show InChI InChI=1S/C19H11Cl2F3N4O/c20-12-7-5-11(6-8-12)17-15-16(18(29)27(10-25-15)9-19(22,23)24)26-28(17)14-4-2-1-3-13(14)21/h1-8,10H,9H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay |
Bioorg Med Chem Lett 16: 731-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301747
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)-c1cn(cn1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C28H24Cl2N4/c1-19-26(24-17-33(18-31-24)28(2,3)21-9-5-4-6-10-21)32-34(25-12-8-7-11-23(25)30)27(19)20-13-15-22(29)16-14-20/h4-18H,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
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay |
Bioorg Med Chem Lett 19: 5351-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.130
BindingDB Entry DOI: 10.7270/Q2KP827S |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50176407
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)Show SMILES CC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl Show InChI InChI=1S/C20H14Cl2F2N4O/c1-20(23,24)10-27-11-25-16-17(19(27)29)26-28(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9,11H,10H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay |
Bioorg Med Chem Lett 16: 731-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301739
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(cn1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C28H23Cl3N4/c1-18-26(24-16-34(17-32-24)28(2,3)20-7-5-4-6-8-20)33-35(25-14-13-22(30)15-23(25)31)27(18)19-9-11-21(29)12-10-19/h4-17H,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
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay |
Bioorg Med Chem Lett 19: 5351-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.130
BindingDB Entry DOI: 10.7270/Q2KP827S |
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
| 0.110 | 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)) | BDBM50176407
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)Show SMILES CC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl Show InChI InChI=1S/C20H14Cl2F2N4O/c1-20(23,24)10-27-11-25-16-17(19(27)29)26-28(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9,11H,10H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 731-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM |
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)) | BDBM50176411
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)Show SMILES FC(F)(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl Show InChI InChI=1S/C19H11Cl2F3N4O/c20-12-7-5-11(6-8-12)17-15-16(18(29)27(10-25-15)9-19(22,23)24)26-28(17)14-4-2-1-3-13(14)21/h1-8,10H,9H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 731-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM |
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
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antibodypedia
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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
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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
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| 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
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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
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| 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)) | BDBM29061
(CHEMBL201602 | pyrazolopyrimidinone-based antagoni...)Show SMILES Cc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C20H13Cl2F3N4O/c1-11-26-16-17(19(30)28(11)10-20(23,24)25)27-29(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 731-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50176403
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)Show SMILES FC(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl Show InChI InChI=1S/C19H12Cl2F2N4O/c20-12-7-5-11(6-8-12)18-16-17(19(28)26(10-24-16)9-15(22)23)25-27(18)14-4-2-1-3-13(14)21/h1-8,10,15H,9H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 731-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM29061
(CHEMBL201602 | pyrazolopyrimidinone-based antagoni...)Show SMILES Cc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C20H13Cl2F3N4O/c1-11-26-16-17(19(30)28(11)10-20(23,24)25)27-29(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.600 | -53.5 | n/a | n/a | 1 | n/a | n/a | 7.4 | 30 |
Pfizer
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 52: 2652-5 (2009)
Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | 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
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| Purchase
CHEMBL
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MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 0.650 | -53.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Pfizer
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 52: 234-7 (2009)
Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM29070
(lactam-based compound, 12i)Show SMILES CC(F)(F)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C21H17Cl2F2N3O/c1-21(24,25)12-27-11-10-15-18(20(27)29)26-28(17-5-3-2-4-16(17)23)19(15)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | -53.1 | n/a | n/a | 0.800 | n/a | n/a | 7.4 | 30 |
Pfizer
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 52: 2652-5 (2009)
Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM27337
(1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-...)Show SMILES CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O Show InChI InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35) | PDB
NCI pathway
Reactome pathway
KEGG
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| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.700 | -53.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Pfizer
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 52: 234-7 (2009)
Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276 |
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
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| 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
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KEGG
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| CHEMBL
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PC sid
UniChem
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| 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
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KEGG
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UniChem
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| 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
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| CHEMBL
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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
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KEGG
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| CHEMBL
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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)) | 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
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| DrugBank
Article
PubMed
| 0.900 | -52.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Pfizer
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 52: 234-7 (2009)
Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | 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
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| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor |
Bioorg Med Chem Lett 19: 5351-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.130
BindingDB Entry DOI: 10.7270/Q2KP827S |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50176418
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-1-(2,2,2-tri...)Show SMILES FC(F)(F)Cn1cnc2N(C(Nc2c1=O)c1ccccc1Cl)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H13Cl2F3N4O/c20-11-5-7-12(8-6-11)28-16(13-3-1-2-4-14(13)21)26-15-17(28)25-10-27(18(15)29)9-19(22,23)24/h1-8,10,16,26H,9H2 | PDB
NCI pathway
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PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay |
Bioorg Med Chem Lett 16: 731-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50176402
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)Show SMILES FC(F)(F)Cn1ccc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl Show InChI InChI=1S/C20H12Cl2F3N3O/c21-13-7-5-12(6-8-13)18-14-9-10-27(11-20(23,24)25)19(29)17(14)26-28(18)16-4-2-1-3-15(16)22/h1-10H,11H2 | PDB
NCI pathway
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UniChem
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PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 731-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50176402
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2,2-tri...)Show SMILES FC(F)(F)Cn1ccc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl Show InChI InChI=1S/C20H12Cl2F3N3O/c21-13-7-5-12(6-8-13)18-14-9-10-27(11-20(23,24)25)19(29)17(14)26-28(18)16-4-2-1-3-15(16)22/h1-10H,11H2 | PDB
NCI pathway
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PC sid
UniChem
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay |
Bioorg Med Chem Lett 16: 731-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM |
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
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| DrugBank
Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay |
Bioorg Med Chem Lett 16: 731-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM |
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
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| Purchase
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UniChem
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| Article
PubMed
| 1 | -52.2 | n/a | n/a | 0.820 | n/a | n/a | 7.4 | 30 |
Pfizer
| Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 52: 2652-5 (2009)
Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50176403
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-diflu...)Show SMILES FC(F)Cn1cnc2c(-c3ccc(Cl)cc3)n(nc2c1=O)-c1ccccc1Cl Show InChI InChI=1S/C19H12Cl2F2N4O/c20-12-7-5-11(6-8-12)18-16-17(19(28)26(10-24-16)9-15(22)23)25-27(18)14-4-2-1-3-13(14)21/h1-8,10,15H,9H2 | PDB
NCI pathway
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay |
Bioorg Med Chem Lett 16: 731-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50176418
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-1-(2,2,2-tri...)Show SMILES FC(F)(F)Cn1cnc2N(C(Nc2c1=O)c1ccccc1Cl)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H13Cl2F3N4O/c20-11-5-7-12(8-6-11)28-16(13-3-1-2-4-14(13)21)26-15-17(28)25-10-27(18(15)29)9-19(22,23)24/h1-8,10,16,26H,9H2 | PDB
NCI pathway
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KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 731-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50176416
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-6-(2...)Show SMILES CCc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl Show InChI InChI=1S/C21H15Cl2F3N4O/c1-2-16-27-17-18(20(31)29(16)11-21(24,25)26)28-30(15-6-4-3-5-14(15)23)19(17)12-7-9-13(22)10-8-12/h3-10H,2,11H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development-Groton Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 731-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM |
More data for this
Ligand-Target Pair | |
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