Found 3797 hits with Last Name = 'hepp' and Initial = 'j' 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)) | BDBM50243536
(CHEMBL4062749)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1O |r| Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-21-4-2-3-5-22(21)35)33-24(19-11-6-16(27)14-20(19)28)34(15)17-7-9-18(10-8-17)39-40(37,38)13-12-26(29,30)31/h6-11,14,21-22,35H,2-5,12-13H2,1H3,(H,32,36)/t21-,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243536
(CHEMBL4062749)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1O |r| Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-21-4-2-3-5-22(21)35)33-24(19-11-6-16(27)14-20(19)28)34(15)17-7-9-18(10-8-17)39-40(37,38)13-12-26(29,30)31/h6-11,14,21-22,35H,2-5,12-13H2,1H3,(H,32,36)/t21-,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243625
(CHEMBL4094098)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(F)nc1 Show InChI InChI=1S/C25H18Cl2F4N4O4S/c1-14-22(24(36)33-16-3-9-21(28)32-13-16)34-23(19-8-2-15(26)12-20(19)27)35(14)17-4-6-18(7-5-17)39-40(37,38)11-10-25(29,30)31/h2-9,12-13H,10-11H2,1H3,(H,33,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243589
(CHEMBL4095223)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCCC(F)(F)F)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C26H27Cl2F3N4O4S/c1-17-23(25(36)33-34-13-3-2-4-14-34)32-24(21-11-6-18(27)16-22(21)28)35(17)19-7-9-20(10-8-19)39-40(37,38)15-5-12-26(29,30)31/h6-11,16H,2-5,12-15H2,1H3,(H,33,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81931
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| 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 |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81931
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| 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 |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243608
(CHEMBL4100882)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-17-3-2-4-19(35)14-17)33-24(21-10-5-16(27)13-22(21)28)34(15)18-6-8-20(9-7-18)39-40(37,38)12-11-26(29,30)31/h5-10,13,17,19,35H,2-4,11-12,14H2,1H3,(H,32,36)/t17-,19-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243589
(CHEMBL4095223)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCCC(F)(F)F)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C26H27Cl2F3N4O4S/c1-17-23(25(36)33-34-13-3-2-4-14-34)32-24(21-11-6-18(27)16-22(21)28)35(17)19-7-9-20(10-8-19)39-40(37,38)15-5-12-26(29,30)31/h6-11,16H,2-5,12-15H2,1H3,(H,33,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81931
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| 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 |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM81931
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| 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 |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243625
(CHEMBL4094098)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(F)nc1 Show InChI InChI=1S/C25H18Cl2F4N4O4S/c1-14-22(24(36)33-16-3-9-21(28)32-13-16)34-23(19-8-2-15(26)12-20(19)27)35(14)17-4-6-18(7-5-17)39-40(37,38)11-10-25(29,30)31/h2-9,12-13H,10-11H2,1H3,(H,33,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243545
(CHEMBL4078689)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCCCF)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H27Cl2FN4O2/c1-17-23(25(33)30-31-13-3-2-4-14-31)29-24(21-11-6-18(26)16-22(21)27)32(17)19-7-9-20(10-8-19)34-15-5-12-28/h6-11,16H,2-5,12-15H2,1H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243545
(CHEMBL4078689)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCCCF)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H27Cl2FN4O2/c1-17-23(25(33)30-31-13-3-2-4-14-31)29-24(21-11-6-18(26)16-22(21)27)32(17)19-7-9-20(10-8-19)34-15-5-12-28/h6-11,16H,2-5,12-15H2,1H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243608
(CHEMBL4100882)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-17-3-2-4-19(35)14-17)33-24(21-10-5-16(27)13-22(21)28)34(15)18-6-8-20(9-7-18)39-40(37,38)12-11-26(29,30)31/h5-10,13,17,19,35H,2-4,11-12,14H2,1H3,(H,32,36)/t17-,19-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243626
(CHEMBL4089821)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(C)cn1 Show InChI InChI=1S/C26H21Cl2F3N4O4S/c1-15-3-10-22(32-14-15)33-25(36)23-16(2)35(24(34-23)20-9-4-17(27)13-21(20)28)18-5-7-19(8-6-18)39-40(37,38)12-11-26(29,30)31/h3-10,13-14H,11-12H2,1-2H3,(H,32,33,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243588
(CHEMBL4067800)Show SMILES CCCCS(=O)(=O)Oc1ccc(cc1)-n1c(C)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C26H30Cl2N4O4S/c1-3-4-16-37(34,35)36-21-11-9-20(10-12-21)32-18(2)24(26(33)30-31-14-6-5-7-15-31)29-25(32)22-13-8-19(27)17-23(22)28/h8-13,17H,3-7,14-16H2,1-2H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243627
(CHEMBL4068708)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C26H18Cl2F6N4O4S/c1-14-22(24(39)36-21-9-2-15(13-35-21)26(32,33)34)37-23(19-8-3-16(27)12-20(19)28)38(14)17-4-6-18(7-5-17)42-43(40,41)11-10-25(29,30)31/h2-9,12-13H,10-11H2,1H3,(H,35,36,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243645
(CHEMBL4087520)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H25Cl2F3N4O4S/c1-16-22(24(35)32-33-12-3-2-4-13-33)31-23(20-10-5-17(26)15-21(20)27)34(16)18-6-8-19(9-7-18)38-39(36,37)14-11-25(28,29)30/h5-10,15H,2-4,11-14H2,1H3,(H,32,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243627
(CHEMBL4068708)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C26H18Cl2F6N4O4S/c1-14-22(24(39)36-21-9-2-15(13-35-21)26(32,33)34)37-23(19-8-3-16(27)12-20(19)28)38(14)17-4-6-18(7-5-17)42-43(40,41)11-10-25(29,30)31/h2-9,12-13H,10-11H2,1H3,(H,35,36,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243626
(CHEMBL4089821)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(C)cn1 Show InChI InChI=1S/C26H21Cl2F3N4O4S/c1-15-3-10-22(32-14-15)33-25(36)23-16(2)35(24(34-23)20-9-4-17(27)13-21(20)28)18-5-7-19(8-6-18)39-40(37,38)12-11-26(29,30)31/h3-10,13-14H,11-12H2,1-2H3,(H,32,33,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243645
(CHEMBL4087520)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H25Cl2F3N4O4S/c1-16-22(24(35)32-33-12-3-2-4-13-33)31-23(20-10-5-17(26)15-21(20)27)34(16)18-6-8-19(9-7-18)38-39(36,37)14-11-25(28,29)30/h5-10,15H,2-4,11-14H2,1H3,(H,32,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243588
(CHEMBL4067800)Show SMILES CCCCS(=O)(=O)Oc1ccc(cc1)-n1c(C)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C26H30Cl2N4O4S/c1-3-4-16-37(34,35)36-21-11-9-20(10-12-21)32-18(2)24(26(33)30-31-14-6-5-7-15-31)29-25(32)22-13-8-19(27)17-23(22)28/h8-13,17H,3-7,14-16H2,1-2H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243609
(CHEMBL4090706)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@@H]1CCCC[C@H]1O |r| Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-21-4-2-3-5-22(21)35)33-24(19-11-6-16(27)14-20(19)28)34(15)17-7-9-18(10-8-17)39-40(37,38)13-12-26(29,30)31/h6-11,14,21-22,35H,2-5,12-13H2,1H3,(H,32,36)/t21-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243593
(CHEMBL4089947)Show SMILES CC(C)CCS(=O)(=O)Oc1ccc(cc1)-n1c(C)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C27H32Cl2N4O4S/c1-18(2)13-16-38(35,36)37-22-10-8-21(9-11-22)33-19(3)25(27(34)31-32-14-5-4-6-15-32)30-26(33)23-12-7-20(28)17-24(23)29/h7-12,17-18H,4-6,13-16H2,1-3H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243561
(CHEMBL4086535)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCCCC(F)(F)F)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C26H27Cl2F3N4O2/c1-17-23(25(36)33-34-13-3-2-4-14-34)32-24(21-11-6-18(27)16-22(21)28)35(17)19-7-9-20(10-8-19)37-15-5-12-26(29,30)31/h6-11,16H,2-5,12-15H2,1H3,(H,33,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243609
(CHEMBL4090706)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@@H]1CCCC[C@H]1O |r| Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-21-4-2-3-5-22(21)35)33-24(19-11-6-16(27)14-20(19)28)34(15)17-7-9-18(10-8-17)39-40(37,38)13-12-26(29,30)31/h6-11,14,21-22,35H,2-5,12-13H2,1H3,(H,32,36)/t21-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]BTCP binding to the dopamine transporter. |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243561
(CHEMBL4086535)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCCCC(F)(F)F)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C26H27Cl2F3N4O2/c1-17-23(25(36)33-34-13-3-2-4-14-34)32-24(21-11-6-18(27)16-22(21)28)35(17)19-7-9-20(10-8-19)37-15-5-12-26(29,30)31/h6-11,16H,2-5,12-15H2,1H3,(H,33,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243593
(CHEMBL4089947)Show SMILES CC(C)CCS(=O)(=O)Oc1ccc(cc1)-n1c(C)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C27H32Cl2N4O4S/c1-18(2)13-16-38(35,36)37-22-10-8-21(9-11-22)33-19(3)25(27(34)31-32-14-5-4-6-15-32)30-26(33)23-12-7-20(28)17-24(23)29/h7-12,17-18H,4-6,13-16H2,1-3H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM81931
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| 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 |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243535
(CHEMBL4065097)Show SMILES CCCS(=O)(=O)Oc1ccc(cc1)-n1c(C)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H28Cl2N4O4S/c1-3-15-36(33,34)35-20-10-8-19(9-11-20)31-17(2)23(25(32)29-30-13-5-4-6-14-30)28-24(31)21-12-7-18(26)16-22(21)27/h7-12,16H,3-6,13-15H2,1-2H3,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243594
(CHEMBL4082908)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)NN1CCCC(O)C1 Show InChI InChI=1S/C25H25Cl2F3N4O5S/c1-15-22(24(36)32-33-11-2-3-18(35)14-33)31-23(20-9-4-16(26)13-21(20)27)34(15)17-5-7-19(8-6-17)39-40(37,38)12-10-25(28,29)30/h4-9,13,18,35H,2-3,10-12,14H2,1H3,(H,32,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243535
(CHEMBL4065097)Show SMILES CCCS(=O)(=O)Oc1ccc(cc1)-n1c(C)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H28Cl2N4O4S/c1-3-15-36(33,34)35-20-10-8-19(9-11-20)31-17(2)23(25(32)29-30-13-5-4-6-14-30)28-24(31)21-12-7-18(26)16-22(21)27/h7-12,16H,3-6,13-15H2,1-2H3,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243594
(CHEMBL4082908)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)NN1CCCC(O)C1 Show InChI InChI=1S/C25H25Cl2F3N4O5S/c1-15-22(24(36)32-33-11-2-3-18(35)14-33)31-23(20-9-4-16(26)13-21(20)27)34(15)17-5-7-19(8-6-17)39-40(37,38)12-10-25(28,29)30/h4-9,13,18,35H,2-3,10-12,14H2,1H3,(H,32,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM81931
(CAM | CAS_56337-94-1 | N-cyclopropylmethylnorazido...)Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CC[C@@H](N=[N+]=[N-])[C@H]5Oc1c2[C@]45CCN3CC1CC1 Show InChI InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243644
(CHEMBL4066563)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C26H18Cl2F6N4O4S/c1-14-22(24(39)36-16-3-9-21(35-13-16)26(32,33)34)37-23(19-8-2-15(27)12-20(19)28)38(14)17-4-6-18(7-5-17)42-43(40,41)11-10-25(29,30)31/h2-9,12-13H,10-11H2,1H3,(H,36,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter. |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243611
(CHEMBL4085407)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@H]1CCCC[C@H]1N |r| Show InChI InChI=1S/C26H27Cl2F3N4O4S/c1-15-23(25(36)33-22-5-3-2-4-21(22)32)34-24(19-11-6-16(27)14-20(19)28)35(15)17-7-9-18(10-8-17)39-40(37,38)13-12-26(29,30)31/h6-11,14,21-22H,2-5,12-13,32H2,1H3,(H,33,36)/t21-,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243644
(CHEMBL4066563)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C26H18Cl2F6N4O4S/c1-14-22(24(39)36-16-3-9-21(35-13-16)26(32,33)34)37-23(19-8-2-15(27)12-20(19)28)38(14)17-4-6-18(7-5-17)42-43(40,41)11-10-25(29,30)31/h2-9,12-13H,10-11H2,1H3,(H,36,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243587
(CHEMBL4105382)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCCF)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H27Cl2FN4O4S/c1-17-23(25(33)30-31-13-3-2-4-14-31)29-24(21-11-6-18(26)16-22(21)27)32(17)19-7-9-20(10-8-19)36-37(34,35)15-5-12-28/h6-11,16H,2-5,12-15H2,1H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243611
(CHEMBL4085407)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)N[C@H]1CCCC[C@H]1N |r| Show InChI InChI=1S/C26H27Cl2F3N4O4S/c1-15-23(25(36)33-22-5-3-2-4-21(22)32)34-24(19-11-6-16(27)14-20(19)28)35(15)17-7-9-18(10-8-17)39-40(37,38)13-12-26(29,30)31/h6-11,14,21-22H,2-5,12-13,32H2,1H3,(H,33,36)/t21-,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243587
(CHEMBL4105382)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCCF)cc1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C25H27Cl2FN4O4S/c1-17-23(25(33)30-31-13-3-2-4-14-31)29-24(21-11-6-18(26)16-22(21)27)32(17)19-7-9-20(10-8-19)36-37(34,35)15-5-12-28/h6-11,16H,2-5,12-15H2,1H3,(H,30,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243610
(CHEMBL4063825)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)NC1CCC(O)CC1 |(15.34,-28.63,;14.39,-27.41,;14.83,-25.94,;13.55,-25.07,;12.33,-26.04,;10.8,-25.86,;9.88,-27.09,;8.35,-26.92,;7.73,-25.49,;6.2,-25.31,;8.66,-24.25,;10.19,-24.43,;11.12,-23.2,;12.86,-27.46,;11.94,-28.69,;10.41,-28.5,;9.49,-29.73,;10.07,-31.16,;9.12,-32.41,;7.58,-32.4,;6.24,-31.63,;7.58,-30.86,;6.81,-33.73,;5.27,-33.72,;4.49,-35.05,;2.95,-35.05,;5.26,-36.39,;3.71,-36.38,;11.61,-31.36,;12.54,-30.12,;16.32,-25.57,;17.38,-26.68,;16.74,-24.09,;18.24,-23.72,;19.31,-24.82,;20.8,-24.45,;21.22,-22.98,;22.72,-22.62,;20.16,-21.87,;18.67,-22.23,)| Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-17-3-7-19(35)8-4-17)33-24(21-11-2-16(27)14-22(21)28)34(15)18-5-9-20(10-6-18)39-40(37,38)13-12-26(29,30)31/h2,5-6,9-11,14,17,19,35H,3-4,7-8,12-13H2,1H3,(H,32,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243610
(CHEMBL4063825)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)NC1CCC(O)CC1 |(15.34,-28.63,;14.39,-27.41,;14.83,-25.94,;13.55,-25.07,;12.33,-26.04,;10.8,-25.86,;9.88,-27.09,;8.35,-26.92,;7.73,-25.49,;6.2,-25.31,;8.66,-24.25,;10.19,-24.43,;11.12,-23.2,;12.86,-27.46,;11.94,-28.69,;10.41,-28.5,;9.49,-29.73,;10.07,-31.16,;9.12,-32.41,;7.58,-32.4,;6.24,-31.63,;7.58,-30.86,;6.81,-33.73,;5.27,-33.72,;4.49,-35.05,;2.95,-35.05,;5.26,-36.39,;3.71,-36.38,;11.61,-31.36,;12.54,-30.12,;16.32,-25.57,;17.38,-26.68,;16.74,-24.09,;18.24,-23.72,;19.31,-24.82,;20.8,-24.45,;21.22,-22.98,;22.72,-22.62,;20.16,-21.87,;18.67,-22.23,)| Show InChI InChI=1S/C26H26Cl2F3N3O5S/c1-15-23(25(36)32-17-3-7-19(35)8-4-17)33-24(21-11-2-16(27)14-22(21)28)34(15)18-5-9-20(10-6-18)39-40(37,38)13-12-26(29,30)31/h2,5-6,9-11,14,17,19,35H,3-4,7-8,12-13H2,1H3,(H,32,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50031228
(CHEMBL420316)Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C20H21ClN2/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam
Curated by ChEMBL
| Assay Description
Displacement of [3H]mepyramine from N-terminal HA-tagged H1R (unknown origin) expressed in HEK293T cells measured after 4 hrs by microbeta scintillat... |
J Med Chem 62: 6630-6644 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00447
BindingDB Entry DOI: 10.7270/Q2HH6PFT |
More data for this
Ligand-Target Pair | |
kappa-type opioid receptor isoform 1
(Frog) | BDBM81935
(CAS_105618-26-6 | NSC_3034416 | Nor-BNI)Show SMILES Oc1ccc2CC(C3CC3)N3CCC45C(Oc1c24)c1[nH]c2C4Oc6c7c(CC(C8CC8)N8CCC47C(O)(C8)Cc2c1CC5(O)C3)ccc6O |TLB:7:6:12.11:44.42,43:42:6.5.4.17:12.11,28:27:35.37:32.33,THB:23:24:35.37:32.33,45:25:35.37:32.33,41:42:6.5.4.17:12.11,16:17:12.11:44.42,3:4:12.11:44.42,36:35:32.33:25.24.26.27| Show InChI InChI=1S/C40H43N3O6/c44-27-7-5-21-13-25(19-1-2-19)42-11-9-39-29(21)33(27)48-35(39)31-23(15-37(39,46)17-42)24-16-38(47)18-43-12-10-40(38)30-22(14-26(43)20-3-4-20)6-8-28(45)34(30)49-36(40)32(24)41-31/h5-8,19-20,25-26,35-36,41,44-47H,1-4,9-18H2 | PDB
Reactome pathway
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50516710
(CHEMBL4469024)Show SMILES [#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C21H23ClN2/c1-2-24-12-9-15(10-13-24)20-19-8-7-18(22)14-17(19)6-5-16-4-3-11-23-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.417 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam
Curated by ChEMBL
| Assay Description
Displacement of [3H]mepyramine from N-terminal HA-tagged H1R (unknown origin) expressed in HEK293T cells measured after 4 hrs by microbeta scintillat... |
J Med Chem 62: 6630-6644 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00447
BindingDB Entry DOI: 10.7270/Q2HH6PFT |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440220
(CHEMBL2426624)Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440220
(CHEMBL2426624)Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Center of Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Neurochem Res 15: 899-904 (1990)
Article DOI: 10.1007/bf00965909
BindingDB Entry DOI: 10.7270/Q25M6460 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50243612
(CHEMBL4093165)Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C27H19Cl2F6N3O5S/c1-15-23(25(39)36-17-3-7-19(8-4-17)42-27(33,34)35)37-24(21-11-2-16(28)14-22(21)29)38(15)18-5-9-20(10-6-18)43-44(40,41)13-12-26(30,31)32/h2-11,14H,12-13H2,1H3,(H,36,39) | PDB
NCI pathway
Reactome pathway
KEGG
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin... |
J Med Chem 60: 9545-9564 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00861
BindingDB Entry DOI: 10.7270/Q2X92DQ7 |
More data for this
Ligand-Target Pair | |
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