Found 599 hits with Last Name = 'amato' and Initial = 'g' 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)) | BDBM50521920
(CHEMBL4469545)Show SMILES CC(C)(C)CC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H30Cl2N6O/c1-28(2,3)16-23(37)33-19-12-14-35(15-13-19)26-24-27(32-17-31-26)36(20-10-8-18(29)9-11-20)25(34-24)21-6-4-5-7-22(21)30/h4-11,17,19H,12-16H2,1-3H3,(H,33,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes |
Bioorg Med Chem 27: 3632-3649 (2019)
Article DOI: 10.1016/j.bmc.2019.07.002
BindingDB Entry DOI: 10.7270/Q2GT5RKV |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516264
(CHEMBL4463013)Show SMILES COCCN(C)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H29Cl2N7O2/c1-34(15-16-38-2)27(37)32-19-11-13-35(14-12-19)25-23-26(31-17-30-25)36(20-9-7-18(28)8-10-20)24(33-23)21-5-3-4-6-22(21)29/h3-10,17,19H,11-16H2,1-2H3,(H,32,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50521917
(CHEMBL4520650)Show SMILES Fc1ccccc1S(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H23Cl2FN6O2S/c29-18-9-11-20(12-10-18)37-26(21-5-1-2-6-22(21)30)34-25-27(32-17-33-28(25)37)36-15-13-19(14-16-36)35-40(38,39)24-8-4-3-7-23(24)31/h1-12,17,19,35H,13-16H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes |
Bioorg Med Chem 27: 3632-3649 (2019)
Article DOI: 10.1016/j.bmc.2019.07.002
BindingDB Entry DOI: 10.7270/Q2GT5RKV |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50463404
(CHEMBL4244751)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)CC1CCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H28Cl2N6O/c29-20-9-11-21(12-10-20)36-26(22-7-3-4-8-23(22)30)33-25-27(31-18-32-28(25)36)35-15-13-34(14-16-35)24(37)17-19-5-1-2-6-19/h3-4,7-12,18-19H,1-2,5-6,13-17H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50463413
(CHEMBL4242477)Show SMILES CCCCS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H26Cl2N6O2S/c1-2-3-16-36(34,35)32-14-12-31(13-15-32)24-22-25(29-17-28-24)33(19-10-8-18(26)9-11-19)23(30-22)20-6-4-5-7-21(20)27/h4-11,17H,2-3,12-16H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50521900
(CHEMBL4580498)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)OC1CCC1)-c1ccccc1Cl Show InChI InChI=1S/C27H26Cl2N6O2/c28-17-8-10-19(11-9-17)35-24(21-6-1-2-7-22(21)29)33-23-25(30-16-31-26(23)35)34-14-12-18(13-15-34)32-27(36)37-20-4-3-5-20/h1-2,6-11,16,18,20H,3-5,12-15H2,(H,32,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes |
Bioorg Med Chem 27: 3632-3649 (2019)
Article DOI: 10.1016/j.bmc.2019.07.002
BindingDB Entry DOI: 10.7270/Q2GT5RKV |
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
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes |
J Med Chem 61: 4370-4385 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP |
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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516261
(CHEMBL4466640)Show SMILES CC(C)CN(C)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H31Cl2N7O/c1-18(2)16-35(3)28(38)33-20-12-14-36(15-13-20)26-24-27(32-17-31-26)37(21-10-8-19(29)9-11-21)25(34-24)22-6-4-5-7-23(22)30/h4-11,17-18,20H,12-16H2,1-3H3,(H,33,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516249
(CHEMBL4524602)Show SMILES CCCN(C)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H29Cl2N7O/c1-3-14-34(2)27(37)32-19-12-15-35(16-13-19)25-23-26(31-17-30-25)36(20-10-8-18(28)9-11-20)24(33-23)21-6-4-5-7-22(21)29/h4-11,17,19H,3,12-16H2,1-2H3,(H,32,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50461710
(CHEMBL4225147)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2cccc(Cl)c2)CC1)-c1ccccc1Cl Show InChI InChI=1S/C28H23Cl3N6/c29-20-8-10-22(11-9-20)37-26(23-6-1-2-7-24(23)31)34-25-27(32-18-33-28(25)37)36-14-12-35(13-15-36)17-19-4-3-5-21(30)16-19/h1-11,16,18H,12-15,17H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes |
J Med Chem 61: 4370-4385 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516262
(CHEMBL4567690)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NCC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C30H33Cl2N7O/c31-21-10-12-23(13-11-21)39-27(24-8-4-5-9-25(24)32)37-26-28(34-19-35-29(26)39)38-16-14-22(15-17-38)36-30(40)33-18-20-6-2-1-3-7-20/h4-5,8-13,19-20,22H,1-3,6-7,14-18H2,(H2,33,36,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50521897
(CHEMBL4567814)Show SMILES Fc1ccccc1C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H23Cl2FN6O/c30-18-9-11-20(12-10-18)38-26(21-5-1-3-7-23(21)31)36-25-27(33-17-34-28(25)38)37-15-13-19(14-16-37)35-29(39)22-6-2-4-8-24(22)32/h1-12,17,19H,13-16H2,(H,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes |
Bioorg Med Chem 27: 3632-3649 (2019)
Article DOI: 10.1016/j.bmc.2019.07.002
BindingDB Entry DOI: 10.7270/Q2GT5RKV |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50463410
(CHEMBL4250064)Show SMILES FC(F)(F)C(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H17Cl2F3N6O/c24-14-5-7-15(8-6-14)34-19(16-3-1-2-4-17(16)25)31-18-20(29-13-30-21(18)34)32-9-11-33(12-10-32)22(35)23(26,27)28/h1-8,13H,9-12H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50461703
(CHEMBL4225421)Show SMILES Clc1ccc(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C28H23Cl3N6/c29-20-7-5-19(6-8-20)17-35-13-15-36(16-14-35)27-25-28(33-18-32-27)37(22-11-9-21(30)10-12-22)26(34-25)23-3-1-2-4-24(23)31/h1-12,18H,13-17H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes |
J Med Chem 61: 4370-4385 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516238
(CHEMBL4578966)Show SMILES CCCN(CC(F)(F)F)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H28Cl2F3N7O/c1-2-13-39(16-28(31,32)33)27(41)36-19-11-14-38(15-12-19)25-23-26(35-17-34-25)40(20-9-7-18(29)8-10-20)24(37-23)21-5-3-4-6-22(21)30/h3-10,17,19H,2,11-16H2,1H3,(H,36,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50461698
(CHEMBL4227354)Show SMILES CC(N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C29H26Cl2N6/c1-20(21-7-3-2-4-8-21)35-15-17-36(18-16-35)28-26-29(33-19-32-28)37(23-13-11-22(30)12-14-23)27(34-26)24-9-5-6-10-25(24)31/h2-14,19-20H,15-18H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes |
J Med Chem 61: 4370-4385 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50463398
(CHEMBL4238756)Show SMILES FC(F)(F)CCS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H21Cl2F3N6O2S/c25-16-5-7-17(8-6-16)35-21(18-3-1-2-4-19(18)26)32-20-22(30-15-31-23(20)35)33-10-12-34(13-11-33)38(36,37)14-9-24(27,28)29/h1-8,15H,9-14H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50463403
(CHEMBL4248795)Show SMILES CCCS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H24Cl2N6O2S/c1-2-15-35(33,34)31-13-11-30(12-14-31)23-21-24(28-16-27-23)32(18-9-7-17(25)8-10-18)22(29-21)19-5-3-4-6-20(19)26/h3-10,16H,2,11-15H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516250
(CHEMBL4450173)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)N1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H29Cl2N7O/c29-19-8-10-21(11-9-19)37-25(22-6-2-3-7-23(22)30)34-24-26(31-18-32-27(24)37)35-16-12-20(13-17-35)33-28(38)36-14-4-1-5-15-36/h2-3,6-11,18,20H,1,4-5,12-17H2,(H,33,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516237
(CHEMBL4533562)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C29H31Cl2N7O/c30-19-10-12-22(13-11-19)38-26(23-8-4-5-9-24(23)31)36-25-27(32-18-33-28(25)38)37-16-14-21(15-17-37)35-29(39)34-20-6-2-1-3-7-20/h4-5,8-13,18,20-21H,1-3,6-7,14-17H2,(H2,34,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50463417
(CHEMBL4244992)Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H24Cl2N6O2S/c1-16(2)35(33,34)31-13-11-30(12-14-31)23-21-24(28-15-27-23)32(18-9-7-17(25)8-10-18)22(29-21)19-5-3-4-6-20(19)26/h3-10,15-16H,11-14H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50463414
(CHEMBL4246283)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)NC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H29Cl2N7O/c29-19-10-12-21(13-11-19)37-25(22-8-4-5-9-23(22)30)34-24-26(31-18-32-27(24)37)35-14-16-36(17-15-35)28(38)33-20-6-2-1-3-7-20/h4-5,8-13,18,20H,1-3,6-7,14-17H2,(H,33,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50521905
(CHEMBL4440527)Show SMILES FC(F)Oc1ccc(cn1)-n1c(nc2c(ncnc12)N1CCC(CC1)NS(=O)(=O)c1ccccc1F)-c1ccccc1Cl Show InChI InChI=1S/C28H23ClF3N7O3S/c29-20-6-2-1-5-19(20)25-36-24-26(34-16-35-27(24)39(25)18-9-10-23(33-15-18)42-28(31)32)38-13-11-17(12-14-38)37-43(40,41)22-8-4-3-7-21(22)30/h1-10,15-17,28,37H,11-14H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes |
Bioorg Med Chem 27: 3632-3649 (2019)
Article DOI: 10.1016/j.bmc.2019.07.002
BindingDB Entry DOI: 10.7270/Q2GT5RKV |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50521892
(CHEMBL4590762)Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H22Cl2F2N6O2S/c29-17-5-7-19(8-6-17)38-26(21-3-1-2-4-22(21)30)35-25-27(33-16-34-28(25)38)37-13-11-18(12-14-37)36-41(39,40)20-9-10-23(31)24(32)15-20/h1-10,15-16,18,36H,11-14H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes |
Bioorg Med Chem 27: 3632-3649 (2019)
Article DOI: 10.1016/j.bmc.2019.07.002
BindingDB Entry DOI: 10.7270/Q2GT5RKV |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50463419
(CHEMBL4244624)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)S(=O)(=O)CC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H30Cl2N6O2S/c29-21-10-12-22(13-11-21)36-26(23-8-4-5-9-24(23)30)33-25-27(31-19-32-28(25)36)34-14-16-35(17-15-34)39(37,38)18-20-6-2-1-3-7-20/h4-5,8-13,19-20H,1-3,6-7,14-18H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50144618
(CHEMBL3758534)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C(=O)C(F)(F)F Show InChI InChI=1S/C24H20Cl3F3N4O2/c1-13-20(22(35)31-17-8-10-33(11-9-17)23(36)24(28,29)30)32-34(19-7-6-16(26)12-18(19)27)21(13)14-2-4-15(25)5-3-14/h2-7,12,17H,8-11H2,1H3,(H,31,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes |
Bioorg Med Chem 24: 1063-70 (2016)
Article DOI: 10.1016/j.bmc.2016.01.033
BindingDB Entry DOI: 10.7270/Q2GB25WW |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50461705
(CHEMBL4226777)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CCc2ccccc2)CC1)-c1ccccc1Cl Show InChI InChI=1S/C29H26Cl2N6/c30-22-10-12-23(13-11-22)37-27(24-8-4-5-9-25(24)31)34-26-28(32-20-33-29(26)37)36-18-16-35(17-19-36)15-14-21-6-2-1-3-7-21/h1-13,20H,14-19H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes |
J Med Chem 61: 4370-4385 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50461685
(CHEMBL4227442)Show SMILES FC(F)(F)Oc1ccccc1CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H23Cl2F3N6O/c30-20-9-11-21(12-10-20)40-26(22-6-2-3-7-23(22)31)37-25-27(35-18-36-28(25)40)39-15-13-38(14-16-39)17-19-5-1-4-8-24(19)41-29(32,33)34/h1-12,18H,13-17H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes |
J Med Chem 61: 4370-4385 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50461695
(CHEMBL4226066)Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H24Cl2N6O/c1-37-24-9-5-4-8-23(24)34-14-16-35(17-15-34)27-25-28(32-18-31-27)36(20-12-10-19(29)11-13-20)26(33-25)21-6-2-3-7-22(21)30/h2-13,18H,14-17H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes |
J Med Chem 61: 4370-4385 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50461694
(CHEMBL4225213)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)c1ccccc1C#N)-c1ccccc1Cl Show InChI InChI=1S/C28H21Cl2N7/c29-20-9-11-21(12-10-20)37-26(22-6-2-3-7-23(22)30)34-25-27(32-18-33-28(25)37)36-15-13-35(14-16-36)24-8-4-1-5-19(24)17-31/h1-12,18H,13-16H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes |
J Med Chem 61: 4370-4385 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50461693
(CHEMBL4228096)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)c1ccccc1)-c1ccccc1Cl Show InChI InChI=1S/C27H22Cl2N6/c28-19-10-12-21(13-11-19)35-25(22-8-4-5-9-23(22)29)32-24-26(30-18-31-27(24)35)34-16-14-33(15-17-34)20-6-2-1-3-7-20/h1-13,18H,14-17H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes |
J Med Chem 61: 4370-4385 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50461688
(CHEMBL4225049)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C27H28Cl2N6/c28-19-10-12-21(13-11-19)35-25(22-8-4-5-9-23(22)29)32-24-26(30-18-31-27(24)35)34-16-14-33(15-17-34)20-6-2-1-3-7-20/h4-5,8-13,18,20H,1-3,6-7,14-17H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes |
J Med Chem 61: 4370-4385 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50463423
(CHEMBL4249233)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)C1CCSCC1)-c1ccccc1Cl Show InChI InChI=1S/C27H26Cl2N6OS/c28-19-5-7-20(8-6-19)35-24(21-3-1-2-4-22(21)29)32-23-25(30-17-31-26(23)35)33-11-13-34(14-12-33)27(36)18-9-15-37-16-10-18/h1-8,17-18H,9-16H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50461686
(CHEMBL4228748)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)c1ccc(cc1)C#N)-c1ccccc1Cl Show InChI InChI=1S/C28H21Cl2N7/c29-20-7-11-22(12-8-20)37-26(23-3-1-2-4-24(23)30)34-25-27(32-18-33-28(25)37)36-15-13-35(14-16-36)21-9-5-19(17-31)6-10-21/h1-12,18H,13-16H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes |
J Med Chem 61: 4370-4385 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50461712
(CHEMBL4229172)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)c1ccccn1)-c1ccccc1Cl Show InChI InChI=1S/C26H21Cl2N7/c27-18-8-10-19(11-9-18)35-24(20-5-1-2-6-21(20)28)32-23-25(30-17-31-26(23)35)34-15-13-33(14-16-34)22-7-3-4-12-29-22/h1-12,17H,13-16H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes |
J Med Chem 61: 4370-4385 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50521921
(CHEMBL4472410)Show SMILES Fc1ccc(cc1)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H23Cl2FN6O/c30-19-7-11-22(12-8-19)38-26(23-3-1-2-4-24(23)31)36-25-27(33-17-34-28(25)38)37-15-13-21(14-16-37)35-29(39)18-5-9-20(32)10-6-18/h1-12,17,21H,13-16H2,(H,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes |
Bioorg Med Chem 27: 3632-3649 (2019)
Article DOI: 10.1016/j.bmc.2019.07.002
BindingDB Entry DOI: 10.7270/Q2GT5RKV |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50521898
(CHEMBL4441517)Show SMILES Fc1ccc(C(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C29H22Cl2F2N6O/c30-17-5-8-20(9-6-17)39-26(21-3-1-2-4-23(21)31)37-25-27(34-16-35-28(25)39)38-13-11-19(12-14-38)36-29(40)22-10-7-18(32)15-24(22)33/h1-10,15-16,19H,11-14H2,(H,36,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes |
Bioorg Med Chem 27: 3632-3649 (2019)
Article DOI: 10.1016/j.bmc.2019.07.002
BindingDB Entry DOI: 10.7270/Q2GT5RKV |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50521896
(CHEMBL4476077)Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H22Cl2F2N6O2S/c29-17-5-8-20(9-6-17)38-26(21-3-1-2-4-22(21)30)35-25-27(33-16-34-28(25)38)37-13-11-19(12-14-37)36-41(39,40)24-10-7-18(31)15-23(24)32/h1-10,15-16,19,36H,11-14H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes |
Bioorg Med Chem 27: 3632-3649 (2019)
Article DOI: 10.1016/j.bmc.2019.07.002
BindingDB Entry DOI: 10.7270/Q2GT5RKV |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50461691
(CHEMBL4224946)Show SMILES Fc1ccc(cc1)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H21Cl2FN6/c28-18-5-9-21(10-6-18)36-25(22-3-1-2-4-23(22)29)33-24-26(31-17-32-27(24)36)35-15-13-34(14-16-35)20-11-7-19(30)8-12-20/h1-12,17H,13-16H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes |
J Med Chem 61: 4370-4385 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50463422
(CHEMBL4248778)Show SMILES CC(C)(C)CC(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H28Cl2N6O/c1-27(2,3)16-22(36)33-12-14-34(15-13-33)25-23-26(31-17-30-25)35(19-10-8-18(28)9-11-19)24(32-23)20-6-4-5-7-21(20)29/h4-11,17H,12-16H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50463418
(CHEMBL4238314)Show SMILES CC(C)CS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H26Cl2N6O2S/c1-17(2)15-36(34,35)32-13-11-31(12-14-32)24-22-25(29-16-28-24)33(19-9-7-18(26)8-10-19)23(30-22)20-5-3-4-6-21(20)27/h3-10,16-17H,11-15H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516260
(CHEMBL4534007)Show SMILES Fc1ccccc1CNC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H26Cl2FN7O/c31-20-9-11-22(12-10-20)40-27(23-6-2-3-7-24(23)32)38-26-28(35-18-36-29(26)40)39-15-13-21(14-16-39)37-30(41)34-17-19-5-1-4-8-25(19)33/h1-12,18,21H,13-17H2,(H2,34,37,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50521909
(CHEMBL4437469)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)Nc1ccccn1)-c1ccccc1Cl Show InChI InChI=1S/C27H23Cl2N7/c28-18-8-10-20(11-9-18)36-25(21-5-1-2-6-22(21)29)34-24-26(31-17-32-27(24)36)35-15-12-19(13-16-35)33-23-7-3-4-14-30-23/h1-11,14,17,19H,12-13,15-16H2,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes |
Bioorg Med Chem 27: 3632-3649 (2019)
Article DOI: 10.1016/j.bmc.2019.07.002
BindingDB Entry DOI: 10.7270/Q2GT5RKV |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50521922
(CHEMBL4452479)Show SMILES Fc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NS(=O)(=O)c1ccccc1F)-c1ccccc1Cl Show InChI InChI=1S/C28H23ClF2N6O2S/c29-22-6-2-1-5-21(22)26-34-25-27(32-17-33-28(25)37(26)20-11-9-18(30)10-12-20)36-15-13-19(14-16-36)35-40(38,39)24-8-4-3-7-23(24)31/h1-12,17,19,35H,13-16H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes |
Bioorg Med Chem 27: 3632-3649 (2019)
Article DOI: 10.1016/j.bmc.2019.07.002
BindingDB Entry DOI: 10.7270/Q2GT5RKV |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50463425
(CHEMBL4249388)Show SMILES CC(C(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C30H26Cl2N6O/c1-20(21-7-3-2-4-8-21)30(39)37-17-15-36(16-18-37)28-26-29(34-19-33-28)38(23-13-11-22(31)12-14-23)27(35-26)24-9-5-6-10-25(24)32/h2-14,19-20H,15-18H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50463402
(CHEMBL4245443)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)S(=O)(=O)CC1CCOCC1)-c1ccccc1Cl Show InChI InChI=1S/C27H28Cl2N6O3S/c28-20-5-7-21(8-6-20)35-25(22-3-1-2-4-23(22)29)32-24-26(30-18-31-27(24)35)33-11-13-34(14-12-33)39(36,37)17-19-9-15-38-16-10-19/h1-8,18-19H,9-17H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry |
Bioorg Med Chem 26: 4518-4531 (2018)
Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516256
(CHEMBL4555599)Show SMILES Fc1ccc(CNC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C30H26Cl2FN7O/c31-20-7-11-23(12-8-20)40-27(24-3-1-2-4-25(24)32)38-26-28(35-18-36-29(26)40)39-15-13-22(14-16-39)37-30(41)34-17-19-5-9-21(33)10-6-19/h1-12,18,22H,13-17H2,(H2,34,37,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516251
(CHEMBL4449377)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NC1CCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H29Cl2N7O/c29-18-9-11-21(12-10-18)37-25(22-7-3-4-8-23(22)30)35-24-26(31-17-32-27(24)37)36-15-13-20(14-16-36)34-28(38)33-19-5-1-2-6-19/h3-4,7-12,17,19-20H,1-2,5-6,13-16H2,(H2,33,34,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50521890
(CHEMBL4475996)Show SMILES CCCCC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C27H27ClF3N7O/c1-2-3-8-22(39)35-17-11-13-37(14-12-17)25-23-26(34-16-33-25)38(18-9-10-21(32-15-18)27(29,30)31)24(36-23)19-6-4-5-7-20(19)28/h4-7,9-10,15-17H,2-3,8,11-14H2,1H3,(H,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes |
Bioorg Med Chem 27: 3632-3649 (2019)
Article DOI: 10.1016/j.bmc.2019.07.002
BindingDB Entry DOI: 10.7270/Q2GT5RKV |
More data for this
Ligand-Target Pair | |
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