Found 196 hits with Last Name = 'pourashraf' and Initial = 'm' 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 |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496270
(CHEMBL3127679)Show SMILES CC(C)N1CCN(CC1)C(=O)C1CC2(C1)CCN(CC2)C1CCOCC1 Show InChI InChI=1S/C21H37N3O2/c1-17(2)22-9-11-24(12-10-22)20(25)18-15-21(16-18)5-7-23(8-6-21)19-3-13-26-14-4-19/h17-19H,3-16H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50364921
(CHEMBL1950329)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCCC2)N(C)S(=O)(=O)c2cccs2)nc1 Show InChI InChI=1S/C27H32N4O3S2/c1-3-34-23-13-11-21(28-18-23)16-26-29-24-17-22(30(2)36(32,33)27-10-7-15-35-27)12-14-25(24)31(26)19-20-8-5-4-6-9-20/h7,10-15,17-18,20H,3-6,8-9,16,19H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496289
(CHEMBL3124968)Show SMILES CC(C)N1CCN(CC1)C(=O)[C@H]1CC11CCN(CC1)C1CCOCC1 |r| Show InChI InChI=1S/C20H35N3O2/c1-16(2)21-9-11-23(12-10-21)19(24)18-15-20(18)5-7-22(8-6-20)17-3-13-25-14-4-17/h16-18H,3-15H2,1-2H3/t18-/m1/s1 | PDB
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496273
(CHEMBL3127700)Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C21H35N3O2/c25-20(24-12-10-23(11-13-24)17-2-1-3-17)19-16-21(19)6-8-22(9-7-21)18-4-14-26-15-5-18/h17-19H,1-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496272
(CHEMBL3127701)Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C22H37N3O2/c26-21(25-13-11-24(12-14-25)18-3-1-2-4-18)20-17-22(20)7-9-23(10-8-22)19-5-15-27-16-6-19/h18-20H,1-17H2 | PDB
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496281
(CHEMBL3127698)Show InChI InChI=1S/C20H35N3O2/c1-16(2)21-9-11-23(12-10-21)19(24)18-15-20(18)5-7-22(8-6-20)17-3-13-25-14-4-17/h16-18H,3-15H2,1-2H3 | PDB
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364921
(CHEMBL1950329)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCCC2)N(C)S(=O)(=O)c2cccs2)nc1 Show InChI InChI=1S/C27H32N4O3S2/c1-3-34-23-13-11-21(28-18-23)16-26-29-24-17-22(30(2)36(32,33)27-10-7-15-35-27)12-14-25(24)31(26)19-20-8-5-4-6-9-20/h7,10-15,17-18,20H,3-6,8-9,16,19H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496296
(CHEMBL3127704)Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCCN(CC1)C1CCC1 Show InChI InChI=1S/C22H37N3O2/c26-21(25-10-2-9-23(13-14-25)18-3-1-4-18)20-17-22(20)7-11-24(12-8-22)19-5-15-27-16-6-19/h18-20H,1-17H2 | PDB
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496290
(CHEMBL3127705)Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C22H32N4O2/c27-21(26-13-11-25(12-14-26)18-1-7-23-8-2-18)20-17-22(20)5-9-24(10-6-22)19-3-15-28-16-4-19/h1-2,7-8,19-20H,3-6,9-17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50364920
(CHEMBL1950351)Show SMILES CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1 Show InChI InChI=1S/C25H35N3O4S/c1-3-33(30,31)28-23-5-4-19(25(29)26-11-6-18(2)7-12-26)16-21(23)22-17-27(13-8-24(22)28)20-9-14-32-15-10-20/h4-5,16,18,20H,3,6-15,17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364923
(CHEMBL1950333)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(CC=C)c3CCN(Cc3c2c1)C1CCCC1 Show InChI InChI=1S/C26H35N3O/c1-3-13-29-24-9-8-20(26(30)27-14-10-19(2)11-15-27)17-22(24)23-18-28(16-12-25(23)29)21-6-4-5-7-21/h3,8-9,17,19,21H,1,4-7,10-16,18H2,2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM60994
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496297
(CHEMBL3127699)Show InChI InChI=1S/C20H33N3O2/c24-19(23-11-9-22(10-12-23)16-1-2-16)18-15-20(18)5-7-21(8-6-20)17-3-13-25-14-4-17/h16-18H,1-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50364922
(CHEMBL1950330)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(CC=C)c3CCN(CC4CC4)Cc3c2c1 Show InChI InChI=1S/C25H33N3O/c1-3-11-28-23-7-6-20(25(29)27-13-8-18(2)9-14-27)15-21(23)22-17-26(12-10-24(22)28)16-19-4-5-19/h3,6-7,15,18-19H,1,4-5,8-14,16-17H2,2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364925
(CHEMBL1950340)Show SMILES CCCn1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1 Show InChI InChI=1S/C26H37N3O/c1-3-13-29-24-9-8-20(26(30)27-14-10-19(2)11-15-27)17-22(24)23-18-28(16-12-25(23)29)21-6-4-5-7-21/h8-9,17,19,21H,3-7,10-16,18H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496259
(CHEMBL3127672)Show SMILES CC(C)N1CCN(CC1)C(=O)[C@@H]1CC11CCN(CC1)C1CCOCC1 |r| Show InChI InChI=1S/C20H35N3O2/c1-16(2)21-9-11-23(12-10-21)19(24)18-15-20(18)5-7-22(8-6-20)17-3-13-25-14-4-17/h16-18H,3-15H2,1-2H3/t18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364935
(CHEMBL1950350)Show SMILES CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1 Show InChI InChI=1S/C25H35N3O3S/c1-3-32(30,31)28-23-9-8-19(25(29)26-13-10-18(2)11-14-26)16-21(23)22-17-27(15-12-24(22)28)20-6-4-5-7-20/h8-9,16,18,20H,3-7,10-15,17H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496295
(CHEMBL3127708)Show SMILES O=C(C1CC11CCN(CC1)C1CCCCC1)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C24H41N3O/c28-23(27-17-15-26(16-18-27)21-9-5-2-6-10-21)22-19-24(22)11-13-25(14-12-24)20-7-3-1-4-8-20/h20-22H,1-19H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50218116
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496276
(CHEMBL3127670)Show SMILES O=C(C1CC11CCN(CCc2ccccc2)CC1)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C26H39N3O/c30-25(29-19-17-28(18-20-29)23-9-5-2-6-10-23)24-21-26(24)12-15-27(16-13-26)14-11-22-7-3-1-4-8-22/h1,3-4,7-8,23-24H,2,5-6,9-21H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364938
(CHEMBL1950354)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CCN(Cc3c2c1)C1CCCC1)S(=O)(=O)N(C)C Show InChI InChI=1S/C25H36N4O3S/c1-18-10-13-27(14-11-18)25(30)19-8-9-23-21(16-19)22-17-28(20-6-4-5-7-20)15-12-24(22)29(23)33(31,32)26(2)3/h8-9,16,18,20H,4-7,10-15,17H2,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364932
(CHEMBL1950347)Show SMILES CCCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1 Show InChI InChI=1S/C26H37N3O3S/c1-3-16-33(31,32)29-24-9-8-20(26(30)27-13-10-19(2)11-14-27)17-22(24)23-18-28(15-12-25(23)29)21-6-4-5-7-21/h8-9,17,19,21H,3-7,10-16,18H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM60994
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496280
(CHEMBL3127702)Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C23H39N3O2/c27-22(26-14-12-25(13-15-26)19-4-2-1-3-5-19)21-18-23(21)8-10-24(11-9-23)20-6-16-28-17-7-20/h19-21H,1-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364937
(CHEMBL1950353)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CCN(Cc3c2c1)C1CCOCC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H35N3O4S/c1-21-9-14-30(15-10-21)29(33)22-7-8-27-25(19-22)26-20-31(23-12-17-36-18-13-23)16-11-28(26)32(27)37(34,35)24-5-3-2-4-6-24/h2-8,19,21,23H,9-18,20H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364928
(CHEMBL1950343)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(C)c3CCN(Cc3c2c1)C1CCCC1 Show InChI InChI=1S/C24H33N3O/c1-17-9-12-26(13-10-17)24(28)18-7-8-22-20(15-18)21-16-27(19-5-3-4-6-19)14-11-23(21)25(22)2/h7-8,15,17,19H,3-6,9-14,16H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364929
(CHEMBL1950344)Show SMILES CCn1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1 Show InChI InChI=1S/C25H35N3O/c1-3-28-23-9-8-19(25(29)26-13-10-18(2)11-14-26)16-21(23)22-17-27(15-12-24(22)28)20-6-4-5-7-20/h8-9,16,18,20H,3-7,10-15,17H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50218116
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364933
(CHEMBL1950348)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CCN(Cc3c2c1)C1CCCC1)S(C)(=O)=O Show InChI InChI=1S/C24H33N3O3S/c1-17-9-12-25(13-10-17)24(28)18-7-8-22-20(15-18)21-16-26(19-5-3-4-6-19)14-11-23(21)27(22)31(2,29)30/h7-8,15,17,19H,3-6,9-14,16H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496263
(CHEMBL3127709)Show InChI InChI=1S/C21H37N3O/c1-17(2)22-10-8-21(9-11-22)16-19(21)20(25)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h17-19H,3-16H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364941
(CHEMBL1950357)Show SMILES CCOc1ccc(Cn2c3CCN(Cc3c3cc(ccc23)C(=O)N2CCC(C)CC2)C2CCOCC2)cc1 Show InChI InChI=1S/C32H41N3O3/c1-3-38-27-7-4-24(5-8-27)21-35-30-9-6-25(32(36)33-15-10-23(2)11-16-33)20-28(30)29-22-34(17-12-31(29)35)26-13-18-37-19-14-26/h4-9,20,23,26H,3,10-19,21-22H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496275
(CHEMBL3127671)Show SMILES O=C(C1CC11CCN(CC1)c1ccncc1)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C23H34N4O/c28-22(27-16-14-26(15-17-27)19-4-2-1-3-5-19)21-18-23(21)8-12-25(13-9-23)20-6-10-24-11-7-20/h6-7,10-11,19,21H,1-5,8-9,12-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364924
(CHEMBL1950335)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(CC=C)c3CCN(Cc3c2c1)C1CCCCC1 Show InChI InChI=1S/C27H37N3O/c1-3-14-30-25-10-9-21(27(31)28-15-11-20(2)12-16-28)18-23(25)24-19-29(17-13-26(24)30)22-7-5-4-6-8-22/h3,9-10,18,20,22H,1,4-8,11-17,19H2,2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364926
(CHEMBL1950341)Show SMILES CCCn1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1 Show InChI InChI=1S/C26H37N3O2/c1-3-11-29-24-5-4-20(26(30)27-12-6-19(2)7-13-27)17-22(24)23-18-28(14-8-25(23)29)21-9-15-31-16-10-21/h4-5,17,19,21H,3,6-16,18H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496279
(CHEMBL3127703)Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCCCCC1 Show InChI InChI=1S/C24H41N3O2/c28-23(27-15-13-26(14-16-27)20-5-3-1-2-4-6-20)22-19-24(22)9-11-25(12-10-24)21-7-17-29-18-8-21/h20-22H,1-19H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496278
(CHEMBL3127706)Show SMILES O=C(C1CC11CCN(CC1)C1CCC1)N1CCN(CC1)C1CCOCC1 Show InChI InChI=1S/C21H35N3O2/c25-20(24-12-10-23(11-13-24)18-4-14-26-15-5-18)19-16-21(19)6-8-22(9-7-21)17-2-1-3-17/h17-19H,1-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364946
(CHEMBL1950489)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(C)c3CCN(Cc3c2c1)C1CCOCC1 Show InChI InChI=1S/C24H33N3O2/c1-17-5-10-26(11-6-17)24(28)18-3-4-22-20(15-18)21-16-27(12-7-23(21)25(22)2)19-8-13-29-14-9-19/h3-4,15,17,19H,5-14,16H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496261
(CHEMBL3127680)Show SMILES CC(C)N1CCN(CC1)C(=O)N1CC2(C1)CCN(CC2)C1CCOCC1 Show InChI InChI=1S/C20H36N4O2/c1-17(2)21-9-11-23(12-10-21)19(25)24-15-20(16-24)5-7-22(8-6-20)18-3-13-26-14-4-18/h17-18H,3-16H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364930
(CHEMBL1950345)Show SMILES CCCC(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1 Show InChI InChI=1S/C27H37N3O3/c1-3-4-26(31)30-24-6-5-20(27(32)28-12-7-19(2)8-13-28)17-22(24)23-18-29(14-9-25(23)30)21-10-15-33-16-11-21/h5-6,17,19,21H,3-4,7-16,18H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50496287
(CHEMBL3127669)Show SMILES O=C(C1CC11CCN(Cc2ccccc2)CC1)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C25H37N3O/c29-24(28-17-15-27(16-18-28)22-9-5-2-6-10-22)23-19-25(23)11-13-26(14-12-25)20-21-7-3-1-4-8-21/h1,3-4,7-8,22-23H,2,5-6,9-20H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay |
J Med Chem 57: 733-58 (2014)
Article DOI: 10.1021/jm4014828 BindingDB Entry DOI: 10.7270/Q2FT8Q13 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364939
(CHEMBL1950355)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CCN(Cc3c2c1)C1CCOCC1)S(=O)(=O)N(C)C Show InChI InChI=1S/C25H36N4O4S/c1-18-6-11-27(12-7-18)25(30)19-4-5-23-21(16-19)22-17-28(20-9-14-33-15-10-20)13-8-24(22)29(23)34(31,32)26(2)3/h4-5,16,18,20H,6-15,17H2,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364931
(CHEMBL1950346)Show SMILES CCCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1 Show InChI InChI=1S/C26H37N3O4S/c1-3-16-34(31,32)29-24-5-4-20(26(30)27-11-6-19(2)7-12-27)17-22(24)23-18-28(13-8-25(23)29)21-9-14-33-15-10-21/h4-5,17,19,21H,3,6-16,18H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364920
(CHEMBL1950351)Show SMILES CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1 Show InChI InChI=1S/C25H35N3O4S/c1-3-33(30,31)28-23-5-4-19(25(29)26-11-6-18(2)7-12-26)16-21(23)22-17-27(13-8-24(22)28)20-9-14-32-15-10-20/h4-5,16,18,20H,3,6-15,17H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364922
(CHEMBL1950330)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(CC=C)c3CCN(CC4CC4)Cc3c2c1 Show InChI InChI=1S/C25H33N3O/c1-3-11-28-23-7-6-20(25(29)27-13-8-18(2)9-14-27)15-21(23)22-17-26(12-10-24(22)28)16-19-4-5-19/h3,6-7,15,18-19H,1,4-5,8-14,16-17H2,2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364936
(CHEMBL1950352)Show SMILES CC(C)S(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1 Show InChI InChI=1S/C26H37N3O4S/c1-18(2)34(31,32)29-24-5-4-20(26(30)27-11-6-19(3)7-12-27)16-22(24)23-17-28(13-8-25(23)29)21-9-14-33-15-10-21/h4-5,16,18-19,21H,6-15,17H2,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364945
(CHEMBL1950488)Show SMILES CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOC1 Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-5-4-18(24(28)25-10-6-17(2)7-11-25)14-20(22)21-15-26(12-8-23(21)27)19-9-13-31-16-19/h4-5,14,17,19H,3,6-13,15-16H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 197 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364947
(CHEMBL1950490)Show SMILES Cn1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCCCC1)C1CCOCC1 Show InChI InChI=1S/C23H31N3O2/c1-24-21-6-5-17(23(27)25-10-3-2-4-11-25)15-19(21)20-16-26(12-7-22(20)24)18-8-13-28-14-9-18/h5-6,15,18H,2-4,7-14,16H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 226 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364934
(CHEMBL1950349)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CCN(Cc3c2c1)C1CCOCC1)S(C)(=O)=O Show InChI InChI=1S/C24H33N3O4S/c1-17-5-10-25(11-6-17)24(28)18-3-4-22-20(15-18)21-16-26(19-8-13-31-14-9-19)12-7-23(21)27(22)32(2,29)30/h3-4,15,17,19H,5-14,16H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 239 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364927
(CHEMBL1950342)Show SMILES CC1CCN(CC1)C(=O)c1ccc2[nH]c3CCN(Cc3c2c1)C1CCCC1 Show InChI InChI=1S/C23H31N3O/c1-16-8-11-25(12-9-16)23(27)17-6-7-21-19(14-17)20-15-26(13-10-22(20)24-21)18-4-2-3-5-18/h6-7,14,16,18,24H,2-5,8-13,15H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 264 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364944
(CHEMBL1950487)Show SMILES CCCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOC1 Show InChI InChI=1S/C25H35N3O4S/c1-3-14-33(30,31)28-23-5-4-19(25(29)26-10-6-18(2)7-11-26)15-21(23)22-16-27(12-8-24(22)28)20-9-13-32-17-20/h4-5,15,18,20H,3,6-14,16-17H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124 BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this Ligand-Target Pair | |