Found 921 hits with Last Name = 'los' 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)) | BDBM50067742
(7-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCCC#N |t:1| Show InChI InChI=1S/C25H35NO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-12,14H2,1-5H3/t19-,20-/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 |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50130624
((6aR,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-tri...)Show SMILES CCCCCCC1(OCCO1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C25H36O4/c1-5-6-7-8-11-25(27-12-13-28-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)29-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50213605
((6aR,10aR)-3-(2-cycloheptylpropan-2-yl)-6,6,9-trim...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCCC1 |t:1| Show InChI InChI=1S/C26H38O2/c1-17-12-13-21-20(14-17)24-22(27)15-19(16-23(24)28-26(21,4)5)25(2,3)18-10-8-6-7-9-11-18/h12,15-16,18,20-21,27H,6-11,13-14H2,1-5H3/t20-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50121425
((6aR,10aR)-3-(2,2-Dichloro-1-hexyl-cyclopropyl)-6,...)Show SMILES CCCCCCC1(CC1(Cl)Cl)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C25H34Cl2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50063885
((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20| Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1 | 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 |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50063885
((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20| Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1 | 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 |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor (unknown origin) |
Bioorg Med Chem 16: 7377-87 (2008)
Article DOI: 10.1016/j.bmc.2008.06.019 BindingDB Entry DOI: 10.7270/Q2TX3F6K |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50063885
((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20| Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 6754-63 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213607
((6aR,10aR)-3-(2-cyclopentylpropan-2-yl)-6,6,9-trim...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCC1 |t:1| Show InChI InChI=1S/C24H34O2/c1-15-10-11-19-18(12-15)22-20(25)13-17(14-21(22)26-24(19,4)5)23(2,3)16-8-6-7-9-16/h10,13-14,16,18-19,25H,6-9,11-12H2,1-5H3/t18-,19-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50213607
((6aR,10aR)-3-(2-cyclopentylpropan-2-yl)-6,6,9-trim...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCC1 |t:1| Show InChI InChI=1S/C24H34O2/c1-15-10-11-19-18(12-15)22-20(25)13-17(14-21(22)26-24(19,4)5)23(2,3)16-8-6-7-9-16/h10,13-14,16,18-19,25H,6-9,11-12H2,1-5H3/t18-,19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50367916
(METHYLTRIENOLONE | Metribolone | R-1881)Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from androgen receptor (unknown origin) expressed in HEK293 cell lysate incubated overnight by microbeta scinti... |
J Med Chem 59: 750-5 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01168 BindingDB Entry DOI: 10.7270/Q2H70HQ9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213599
((6aR,10aR)-3-(6-bromo-2-methylhexan-2-yl)-6,6,9-tr...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCBr |t:1| Show InChI InChI=1S/C23H33BrO2/c1-15-8-9-18-17(12-15)21-19(25)13-16(14-20(21)26-23(18,4)5)22(2,3)10-6-7-11-24/h8,13-14,17-18,25H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50063884
((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...)Show SMILES CCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.437 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 6754-63 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50063884
((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...)Show SMILES CCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50130623
((6aR,10aR)-3-(1-hexylcyclopentyl)-6,6,9-trimethyl-...)Show SMILES CCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C27H40O2/c1-5-6-7-8-13-27(14-9-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/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
| 0.447 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 6754-63 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50130623
((6aR,10aR)-3-(1-hexylcyclopentyl)-6,6,9-trimethyl-...)Show SMILES CCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C27H40O2/c1-5-6-7-8-13-27(14-9-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/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
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50067735
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50367916
(METHYLTRIENOLONE | Metribolone | R-1881)Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from progesterone receptor (unknown origin) expressed in HEK293 cell lysate incubated overnight by microbeta sc... |
J Med Chem 59: 750-5 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01168 BindingDB Entry DOI: 10.7270/Q2H70HQ9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50063885
((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20| Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50063885
((-)-2-(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-1-hy...)Show SMILES CCCCCCC1(SCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20| Show InChI InChI=1S/C25H36O2S2/c1-5-6-7-8-11-25(28-12-13-29-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor (unknown origin) |
Bioorg Med Chem 16: 7377-87 (2008)
Article DOI: 10.1016/j.bmc.2008.06.019 BindingDB Entry DOI: 10.7270/Q2TX3F6K |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50130624
((6aR,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-tri...)Show SMILES CCCCCCC1(OCCO1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C25H36O4/c1-5-6-7-8-11-25(27-12-13-28-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)29-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50130624
((6aR,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-tri...)Show SMILES CCCCCCC1(OCCO1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C25H36O4/c1-5-6-7-8-11-25(27-12-13-28-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)29-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.525 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 6754-63 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M |
More data for this Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50367916
(METHYLTRIENOLONE | Metribolone | R-1881)Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-aldosterone from mineralocorticoid receptor (unknown origin) expressed in HEK293 cell lysate incubated overnight by microbeta sc... |
J Med Chem 59: 750-5 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01168 BindingDB Entry DOI: 10.7270/Q2H70HQ9 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50133544
((6aR,10aR)-3-(1-Cyclohexyl-1-methyl-ethyl)-6,6,9-t...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCC1 |t:1| Show InChI InChI=1S/C25H36O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h11,14-15,17,19-20,26H,6-10,12-13H2,1-5H3/t19-,20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50133544
((6aR,10aR)-3-(1-Cyclohexyl-1-methyl-ethyl)-6,6,9-t...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCC1 |t:1| Show InChI InChI=1S/C25H36O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h11,14-15,17,19-20,26H,6-10,12-13H2,1-5H3/t19-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50145862
(CHEMBL3765171)Show InChI InChI=1S/C14H17ClN2O/c1-9-11(6-5-10(8-16)13(9)15)17-12-4-3-7-14(12,2)18/h5-6,12,17-18H,3-4,7H2,1-2H3/t12-,14+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from androgen receptor (unknown origin) expressed in HEK293 cell lysate incubated overnight by microbeta scinti... |
J Med Chem 59: 750-5 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01168 BindingDB Entry DOI: 10.7270/Q2H70HQ9 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50121428
((6aR,10aR)-3-(2,2-Dibromo-1-hexyl-cyclopropyl)-6,6...)Show SMILES CCCCCCC1(CC1(Br)Br)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C25H34Br2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 6754-63 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50121428
((6aR,10aR)-3-(2,2-Dibromo-1-hexyl-cyclopropyl)-6,6...)Show SMILES CCCCCCC1(CC1(Br)Br)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C25H34Br2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067735
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067735
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.832 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 6754-63 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50063884
((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...)Show SMILES CCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50133546
((6aR,10aR)-6,6,9-Trimethyl-3-(1-methyl-1-phenyl-et...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1 |r,t:1| Show InChI InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213605
((6aR,10aR)-3-(2-cycloheptylpropan-2-yl)-6,6,9-trim...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCCC1 |t:1| Show InChI InChI=1S/C26H38O2/c1-17-12-13-21-20(14-17)24-22(27)15-19(16-23(24)28-26(21,4)5)25(2,3)18-10-8-6-7-9-11-18/h12,15-16,18,20-21,27H,6-11,13-14H2,1-5H3/t20-,21-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50121428
((6aR,10aR)-3-(2,2-Dibromo-1-hexyl-cyclopropyl)-6,6...)Show SMILES CCCCCCC1(CC1(Br)Br)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C25H34Br2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50067740
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC#N |t:1| Show InChI InChI=1S/C24H33NO2/c1-16-9-10-19-18(13-16)22-20(26)14-17(15-21(22)27-24(19,4)5)23(2,3)11-7-6-8-12-25/h9,14-15,18-19,26H,6-8,10-11,13H2,1-5H3/t18-,19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50067737
(4-(5-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCOc1ccc(cc1)C#N |t:1| Show InChI InChI=1S/C30H37NO3/c1-20-8-13-25-24(16-20)28-26(32)17-22(18-27(28)34-30(25,4)5)29(2,3)14-6-7-15-33-23-11-9-21(19-31)10-12-23/h8-12,17-18,24-25,32H,6-7,13-16H2,1-5H3/t24-,25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50121425
((6aR,10aR)-3-(2,2-Dichloro-1-hexyl-cyclopropyl)-6,...)Show SMILES CCCCCCC1(CC1(Cl)Cl)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C25H34Cl2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50121425
((6aR,10aR)-3-(2,2-Dichloro-1-hexyl-cyclopropyl)-6,...)Show SMILES CCCCCCC1(CC1(Cl)Cl)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C25H34Cl2O2/c1-5-6-7-8-11-24(15-25(24,26)27)17-13-20(28)22-18-12-16(2)9-10-19(18)23(3,4)29-21(22)14-17/h9,13-14,18-19,28H,5-8,10-12,15H2,1-4H3/t18-,19-,24?/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 6754-63 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067737
(4-(5-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCOc1ccc(cc1)C#N |t:1| Show InChI InChI=1S/C30H37NO3/c1-20-8-13-25-24(16-20)28-26(32)17-22(18-27(28)34-30(25,4)5)29(2,3)14-6-7-15-33-23-11-9-21(19-31)10-12-23/h8-12,17-18,24-25,32H,6-7,13-16H2,1-5H3/t24-,25-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50067740
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC#N |t:1| Show InChI InChI=1S/C24H33NO2/c1-16-9-10-19-18(13-16)22-20(26)14-17(15-21(22)27-24(19,4)5)23(2,3)11-7-6-8-12-25/h9,14-15,18-19,26H,6-8,10-11,13H2,1-5H3/t18-,19-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50130626
((6aR,10aR)-3-(2-hexyl-1,3-dithian-2-yl)-6,6,9-trim...)Show SMILES CCCCCCC1(SCCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:21| Show InChI InChI=1S/C26H38O2S2/c1-5-6-7-8-12-26(29-13-9-14-30-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 6754-63 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50130626
((6aR,10aR)-3-(2-hexyl-1,3-dithian-2-yl)-6,6,9-trim...)Show SMILES CCCCCCC1(SCCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:21| Show InChI InChI=1S/C26H38O2S2/c1-5-6-7-8-12-26(29-13-9-14-30-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50130623
((6aR,10aR)-3-(1-hexylcyclopentyl)-6,6,9-trimethyl-...)Show SMILES CCCCCCC1(CCCC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20| Show InChI InChI=1S/C27H40O2/c1-5-6-7-8-13-27(14-9-10-15-27)20-17-23(28)25-21-16-19(2)11-12-22(21)26(3,4)29-24(25)18-20/h11,17-18,21-22,28H,5-10,12-16H2,1-4H3/t21-,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50145863
(CHEMBL3764185)Show SMILES Cc1c(N[C@@H]2CCC[C@@]2(C)O)ccc(C#N)c1Cl |r| Show InChI InChI=1S/C14H17ClN2O/c1-9-11(6-5-10(8-16)13(9)15)17-12-4-3-7-14(12,2)18/h5-6,12,17-18H,3-4,7H2,1-2H3/t12-,14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]-methyltrienolone from androgen receptor (unknown origin) expressed in HEK293 cell lysate incubated overnight by microbeta scinti... |
J Med Chem 59: 750-5 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01168 BindingDB Entry DOI: 10.7270/Q2H70HQ9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213609
((6aR,10aR)-6,6,9-trimethyl-3-(oct-1-en-2-yl)-6a,7,...)Show SMILES CCCCCCC(=C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C24H34O2/c1-6-7-8-9-10-17(3)18-14-21(25)23-19-13-16(2)11-12-20(19)24(4,5)26-22(23)15-18/h11,14-15,19-20,25H,3,6-10,12-13H2,1-2,4-5H3/t19-,20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213609
((6aR,10aR)-6,6,9-trimethyl-3-(oct-1-en-2-yl)-6a,7,...)Show SMILES CCCCCCC(=C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C24H34O2/c1-6-7-8-9-10-17(3)18-14-21(25)23-19-13-16(2)11-12-20(19)24(4,5)26-22(23)15-18/h11,14-15,19-20,25H,3,6-10,12-13H2,1-2,4-5H3/t19-,20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 6754-63 (2007)
Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213612
((6aR,10aR)-6,6,9-trimethyl-3-(2-methylheptan-2-yl)...)Show SMILES CCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C24H36O2/c1-7-8-9-12-23(3,4)17-14-20(25)22-18-13-16(2)10-11-19(18)24(5,6)26-21(22)15-17/h10,14-15,18-19,25H,7-9,11-13H2,1-6H3/t18-,19-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50067742
(7-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCCC#N |t:1| Show InChI InChI=1S/C25H35NO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-12,14H2,1-5H3/t19-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50067730
(6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...)Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CCCCC(=O)NN1CCCCC1 |t:1| Show InChI InChI=1S/C29H44N2O3/c1-20-12-13-23-22(17-20)27-24(32)18-21(19-25(27)34-29(23,4)5)28(2,3)14-8-7-11-26(33)30-31-15-9-6-10-16-31/h12,18-19,22-23,32H,6-11,13-17H2,1-5H3,(H,30,33)/t22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50213609
((6aR,10aR)-6,6,9-trimethyl-3-(oct-1-en-2-yl)-6a,7,...)Show SMILES CCCCCCC(=C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C24H34O2/c1-6-7-8-9-10-17(3)18-14-21(25)23-19-13-16(2)11-12-20(19)24(4,5)26-22(23)15-18/h11,14-15,19-20,25H,3,6-10,12-13H2,1-2,4-5H3/t19-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50130626
((6aR,10aR)-3-(2-hexyl-1,3-dithian-2-yl)-6,6,9-trim...)Show SMILES CCCCCCC1(SCCCS1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:21| Show InChI InChI=1S/C26H38O2S2/c1-5-6-7-8-12-26(29-13-9-14-30-26)19-16-22(27)24-20-15-18(2)10-11-21(20)25(3,4)28-23(24)17-19/h10,16-17,20-21,27H,5-9,11-15H2,1-4H3/t20-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The National Hellenic Research Foundation
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 50: 2875-85 (2007)
Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4 |
More data for this Ligand-Target Pair | |