Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50018417 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)) | BDBM50114673
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50114673
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN55,212-2 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50114673
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50195532
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(\C=N\N2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H21Cl3N4/c1-15-20(14-26-28-11-3-2-4-12-28)27-29(21-10-9-18(24)13-19(21)25)22(15)16-5-7-17(23)8-6-16/h5-10,13-14H,2-4,11-12H2,1H3/b26-14+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN55,212-2 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50195532
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(\C=N\N2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H21Cl3N4/c1-15-20(14-26-28-11-3-2-4-12-28)27-29(21-10-9-18(24)13-19(21)25)22(15)16-5-7-17(23)8-6-16/h5-10,13-14H,2-4,11-12H2,1H3/b26-14+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN55,212-2 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50140224
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)Show SMILES CN(C1CCCCC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H24Cl3N3O/c1-15-22(24(31)29(2)19-6-4-3-5-7-19)28-30(21-13-12-18(26)14-20(21)27)23(15)16-8-10-17(25)11-9-16/h8-14,19H,3-7H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50195530
(5-(4-chlorophenyl)-3-[(E)-2-cyclohexylethenyl]-1-(...)Show SMILES Cc1c(\C=C\C2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H23Cl3N2/c1-16-22(13-7-17-5-3-2-4-6-17)28-29(23-14-12-20(26)15-21(23)27)24(16)18-8-10-19(25)11-9-18/h7-15,17H,2-6H2,1H3/b13-7+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 31.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50140224
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)Show SMILES CN(C1CCCCC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H24Cl3N3O/c1-15-22(24(31)29(2)19-6-4-3-5-7-19)28-30(21-13-12-18(26)14-20(21)27)23(15)16-8-10-17(25)11-9-16/h8-14,19H,3-7H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50195532
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(\C=N\N2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H21Cl3N4/c1-15-20(14-26-28-11-3-2-4-12-28)27-29(21-10-9-18(24)13-19(21)25)22(15)16-5-7-17(23)8-6-16/h5-10,13-14H,2-4,11-12H2,1H3/b26-14+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50195530
(5-(4-chlorophenyl)-3-[(E)-2-cyclohexylethenyl]-1-(...)Show SMILES Cc1c(\C=C\C2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H23Cl3N2/c1-16-22(13-7-17-5-3-2-4-6-17)28-29(23-14-12-20(26)15-21(23)27)24(16)18-8-10-19(25)11-9-18/h7-15,17H,2-6H2,1H3/b13-7+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN55,212-2 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50195530
(5-(4-chlorophenyl)-3-[(E)-2-cyclohexylethenyl]-1-(...)Show SMILES Cc1c(\C=C\C2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H23Cl3N2/c1-16-22(13-7-17-5-3-2-4-6-17)28-29(23-14-12-20(26)15-21(23)27)24(16)18-8-10-19(25)11-9-18/h7-15,17H,2-6H2,1H3/b13-7+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50140224
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)Show SMILES CN(C1CCCCC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H24Cl3N3O/c1-15-22(24(31)29(2)19-6-4-3-5-7-19)28-30(21-13-12-18(26)14-20(21)27)23(15)16-8-10-17(25)11-9-16/h8-14,19H,3-7H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN55,212-2 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50195531
(1-[2-(5-(4-chlorophenyl)-1(2,4-dichlorophenyl)-4-m...)Show SMILES Cc1c(\C=C\N2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H22Cl3N3/c1-16-21(11-14-28-12-3-2-4-13-28)27-29(22-10-9-19(25)15-20(22)26)23(16)17-5-7-18(24)8-6-17/h5-11,14-15H,2-4,12-13H2,1H3/b14-11+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 213 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50195531
(1-[2-(5-(4-chlorophenyl)-1(2,4-dichlorophenyl)-4-m...)Show SMILES Cc1c(\C=C\N2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H22Cl3N3/c1-16-21(11-14-28-12-3-2-4-13-28)27-29(22-10-9-19(25)15-20(22)26)23(16)17-5-7-18(24)8-6-17/h5-11,14-15H,2-4,12-13H2,1H3/b14-11+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN55,212-2 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50195531
(1-[2-(5-(4-chlorophenyl)-1(2,4-dichlorophenyl)-4-m...)Show SMILES Cc1c(\C=C\N2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H22Cl3N3/c1-16-21(11-14-28-12-3-2-4-13-28)27-29(22-10-9-19(25)15-20(22)26)23(16)17-5-7-18(24)8-6-17/h5-11,14-15H,2-4,12-13H2,1H3/b14-11+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 258 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Greensboro
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 49: 5969-87 (2006)
Article DOI: 10.1021/jm060446b BindingDB Entry DOI: 10.7270/Q26H4H28 |
More data for this Ligand-Target Pair | |