Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50029783 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 2
(Homo sapiens (Human)) | BDBM50287803
((2-Methyl-3-morpholin-4-ylmethyl-indol-1-yl)-napht...)Show SMILES Cc1c(CN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-18-23(17-26-13-15-29-16-14-26)21-10-4-5-12-24(21)27(18)25(28)22-11-6-8-19-7-2-3-9-20(19)22/h2-12H,13-17H2,1H3 | PDB
Reactome pathway
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| Article
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50234418
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3 | PDB
Reactome pathway
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| Article
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50240608
(2-(1-(2,3-dichlorobenzoyl)-5-methoxy-2-methyl-1H-i...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H22Cl2N2O4/c1-14-17(13-21(28)26-8-10-31-11-9-26)18-12-15(30-2)6-7-20(18)27(14)23(29)16-4-3-5-19(24)22(16)25/h3-7,12H,8-11,13H2,1-2H3 | PDB
Reactome pathway
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| Article
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50009864
(CHEMBL274833 | [2-Methyl-1-(2-morpholin-4-yl-ethyl...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1 Show InChI InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3 | PDB
Reactome pathway
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| Article
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50240605
((2,3-Dichloro-phenyl)-(5-methoxy-2-methyl-3-morpho...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CN3CCOCC3)c2c1 Show InChI InChI=1S/C22H22Cl2N2O3/c1-14-18(13-25-8-10-29-11-9-25)17-12-15(28-2)6-7-20(17)26(14)22(27)16-4-3-5-19(23)21(16)24/h3-7,12H,8-11,13H2,1-2H3 | PDB
Reactome pathway
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| Article
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50287806
((2,3-Dichloro-phenyl)-[2-methyl-3-(2-morpholin-4-y...)Show SMILES Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H22Cl2N2O2/c1-15-16(9-10-25-11-13-28-14-12-25)17-5-2-3-8-20(17)26(15)22(27)18-6-4-7-19(23)21(18)24/h2-8H,9-14H2,1H3 | PDB
Reactome pathway
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| Article
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50287807
(2-[1-(2,6-Dichloro-benzoyl)-5-methoxy-2-methyl-1H-...)Show SMILES COc1ccc2n(C(=O)c3c(Cl)cccc3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H22Cl2N2O4/c1-14-16(13-21(28)26-8-10-31-11-9-26)17-12-15(30-2)6-7-20(17)27(14)23(29)22-18(24)4-3-5-19(22)25/h3-7,12H,8-11,13H2,1-2H3 | PDB
Reactome pathway
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| Article
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50287809
(2-[1-(2-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)Show SMILES COc1ccc2n(C(=O)c3ccccc3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H23ClN2O4/c1-15-18(14-22(27)25-9-11-30-12-10-25)19-13-16(29-2)7-8-21(19)26(15)23(28)17-5-3-4-6-20(17)24/h3-8,13H,9-12,14H2,1-2H3 | PDB
Reactome pathway
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| Article
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50287805
(2-[1-(2-Chloro-4-fluoro-benzoyl)-5-methoxy-2-methy...)Show SMILES COc1ccc2n(C(=O)c3ccc(F)cc3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H22ClFN2O4/c1-14-18(13-22(28)26-7-9-31-10-8-26)19-12-16(30-2)4-6-21(19)27(14)23(29)17-5-3-15(25)11-20(17)24/h3-6,11-12H,7-10,13H2,1-2H3 | PDB
Reactome pathway
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| Article
| 134 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50287801
(CHEMBL72324 | [5-Methoxy-2-methyl-1-(naphthalene-1...)Show SMILES COC(=O)Cc1c(C)n(C(=O)c2cccc3ccccc23)c2ccc(OC)cc12 Show InChI InChI=1S/C24H21NO4/c1-15-20(14-23(26)29-3)21-13-17(28-2)11-12-22(21)25(15)24(27)19-10-6-8-16-7-4-5-9-18(16)19/h4-13H,14H2,1-3H3 | PDB
Reactome pathway
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| Article
| 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50287802
((4-Chloro-phenyl)-[5-methoxy-2-methyl-3-(2-morphol...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H25ClN2O3/c1-16-20(9-10-25-11-13-29-14-12-25)21-15-19(28-2)7-8-22(21)26(16)23(27)17-3-5-18(24)6-4-17/h3-8,15H,9-14H2,1-2H3 | PDB
Reactome pathway
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| Article
| 213 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50240606
((2-methyl-3-(2-morpholinoethyl)-1H-indol-1-yl)(nap...)Show SMILES Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C26H26N2O2/c1-19-21(13-14-27-15-17-30-18-16-27)23-10-4-5-12-25(23)28(19)26(29)24-11-6-8-20-7-2-3-9-22(20)24/h2-12H,13-18H2,1H3 | PDB
Reactome pathway
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| Article
| 216 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50287804
(2-[1-(3-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H23ClN2O4/c1-15-19(14-22(27)25-8-10-30-11-9-25)20-13-18(29-2)6-7-21(20)26(15)23(28)16-4-3-5-17(24)12-16/h3-7,12-13H,8-11,14H2,1-2H3 | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
| 354 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50287808
(CHEMBL307210 | [1-(2-Chloro-benzoyl)-5-methoxy-2-m...)Show SMILES COC(=O)Cc1c(C)n(C(=O)c2ccccc2Cl)c2ccc(OC)cc12 Show InChI InChI=1S/C20H18ClNO4/c1-12-15(11-19(23)26-3)16-10-13(25-2)8-9-18(16)22(12)20(24)14-6-4-5-7-17(14)21/h4-10H,11H2,1-3H3 | PDB
Reactome pathway
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| Article
| 397 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50090806
(2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H23ClN2O4/c1-15-19(14-22(27)25-9-11-30-12-10-25)20-13-18(29-2)7-8-21(20)26(15)23(28)16-3-5-17(24)6-4-16/h3-8,13H,9-12,14H2,1-2H3 | PDB
Reactome pathway
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CHEMBL
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PC sid
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| Article
| 435 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50009864
(CHEMBL274833 | [2-Methyl-1-(2-morpholin-4-yl-ethyl...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1 Show InChI InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
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PC sid
UniChem
Patents
Similars
| Article
| 638 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50287803
((2-Methyl-3-morpholin-4-ylmethyl-indol-1-yl)-napht...)Show SMILES Cc1c(CN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-18-23(17-26-13-15-29-16-14-26)21-10-4-5-12-24(21)27(18)25(28)22-11-6-8-19-7-2-3-9-20(19)22/h2-12H,13-17H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Patents
| Article
| 877 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50287811
(2-[1-(2,3-Dichloro-benzyl)-5-methoxy-2-methyl-1H-i...)Show SMILES COc1ccc2n(Cc3cccc(Cl)c3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-18(13-22(28)26-8-10-30-11-9-26)19-12-17(29-2)6-7-21(19)27(15)14-16-4-3-5-20(24)23(16)25/h3-7,12H,8-11,13-14H2,1-2H3 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
| 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50287808
(CHEMBL307210 | [1-(2-Chloro-benzoyl)-5-methoxy-2-m...)Show SMILES COC(=O)Cc1c(C)n(C(=O)c2ccccc2Cl)c2ccc(OC)cc12 Show InChI InChI=1S/C20H18ClNO4/c1-12-15(11-19(23)26-3)16-10-13(25-2)8-9-18(16)22(12)20(24)14-6-4-5-7-17(14)21/h4-10H,11H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50234418
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3 | PDB
NCI pathway
Reactome pathway
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| Article
| 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50240608
(2-(1-(2,3-dichlorobenzoyl)-5-methoxy-2-methyl-1H-i...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H22Cl2N2O4/c1-14-17(13-21(28)26-8-10-31-11-9-26)18-12-15(30-2)6-7-20(18)27(14)23(29)16-4-3-5-19(24)22(16)25/h3-7,12H,8-11,13H2,1-2H3 | PDB
NCI pathway
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Similars
| Article
| 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50240606
((2-methyl-3-(2-morpholinoethyl)-1H-indol-1-yl)(nap...)Show SMILES Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C26H26N2O2/c1-19-21(13-14-27-15-17-30-18-16-27)23-10-4-5-12-25(23)28(19)26(29)24-11-6-8-20-7-2-3-9-22(20)24/h2-12H,13-18H2,1H3 | PDB
NCI pathway
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| 2.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50287807
(2-[1-(2,6-Dichloro-benzoyl)-5-methoxy-2-methyl-1H-...)Show SMILES COc1ccc2n(C(=O)c3c(Cl)cccc3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H22Cl2N2O4/c1-14-16(13-21(28)26-8-10-31-11-9-26)17-12-15(30-2)6-7-20(17)27(14)23(29)22-18(24)4-3-5-19(22)25/h3-7,12H,8-11,13H2,1-2H3 | PDB
NCI pathway
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| Article
| 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50287806
((2,3-Dichloro-phenyl)-[2-methyl-3-(2-morpholin-4-y...)Show SMILES Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H22Cl2N2O2/c1-15-16(9-10-25-11-13-28-14-12-25)17-5-2-3-8-20(17)26(15)22(27)18-6-4-7-19(23)21(18)24/h2-8H,9-14H2,1H3 | PDB
NCI pathway
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| Article
| 3.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50240605
((2,3-Dichloro-phenyl)-(5-methoxy-2-methyl-3-morpho...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CN3CCOCC3)c2c1 Show InChI InChI=1S/C22H22Cl2N2O3/c1-14-18(13-25-8-10-29-11-9-25)17-12-15(28-2)6-7-20(17)26(14)22(27)16-4-3-5-19(23)21(16)24/h3-7,12H,8-11,13H2,1-2H3 | PDB
NCI pathway
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| Article
| 3.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50287809
(2-[1-(2-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)Show SMILES COc1ccc2n(C(=O)c3ccccc3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H23ClN2O4/c1-15-18(14-22(27)25-9-11-30-12-10-25)19-13-16(29-2)7-8-21(19)26(15)23(28)17-5-3-4-6-20(17)24/h3-8,13H,9-12,14H2,1-2H3 | PDB
NCI pathway
Reactome pathway
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| Article
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM22952
(CHEMBL73572 | Indomethacin derivative, 5 | methyl ...)Show SMILES COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3 | PDB
Reactome pathway
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| 4.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50287801
(CHEMBL72324 | [5-Methoxy-2-methyl-1-(naphthalene-1...)Show SMILES COC(=O)Cc1c(C)n(C(=O)c2cccc3ccccc23)c2ccc(OC)cc12 Show InChI InChI=1S/C24H21NO4/c1-15-20(14-23(26)29-3)21-13-17(28-2)11-12-22(21)25(15)24(27)19-10-6-8-16-7-4-5-9-18(16)19/h4-13H,14H2,1-3H3 | PDB
NCI pathway
Reactome pathway
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| Article
| 4.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50287805
(2-[1-(2-Chloro-4-fluoro-benzoyl)-5-methoxy-2-methy...)Show SMILES COc1ccc2n(C(=O)c3ccc(F)cc3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H22ClFN2O4/c1-14-18(13-22(28)26-7-9-31-10-8-26)19-12-16(30-2)4-6-21(19)27(14)23(29)17-5-3-15(25)11-20(17)24/h3-6,11-12H,7-10,13H2,1-2H3 | PDB
NCI pathway
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Similars
| Article
| 5.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50287810
(2-Methyl-3-morpholin-4-ylmethyl-1-naphthalen-1-yl-...)Show SMILES Cc1c(CN2CCOCC2)c2ccccc2n1-c1cccc2ccccc12 |(8.88,-12.23,;7.56,-11.48,;7.56,-9.94,;8.81,-8.69,;10.5,-9.14,;10.55,-10.88,;12.08,-11.73,;13.57,-10.81,;13.54,-9.05,;11.98,-8.22,;4.9,-9.94,;3.59,-9.15,;2.26,-9.92,;2.26,-11.48,;3.59,-12.23,;4.9,-11.48,;6.23,-12.24,;6.25,-13.77,;7.58,-14.53,;7.58,-16.1,;6.25,-16.86,;4.9,-16.1,;3.57,-16.86,;2.23,-16.1,;2.23,-14.56,;3.57,-13.77,;4.9,-14.56,)| Show InChI InChI=1S/C24H24N2O/c1-18-22(17-25-13-15-27-16-14-25)21-10-4-5-11-24(21)26(18)23-12-6-8-19-7-2-3-9-20(19)23/h2-12H,13-17H2,1H3 | PDB
NCI pathway
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| Article
| 6.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50287810
(2-Methyl-3-morpholin-4-ylmethyl-1-naphthalen-1-yl-...)Show SMILES Cc1c(CN2CCOCC2)c2ccccc2n1-c1cccc2ccccc12 |(8.88,-12.23,;7.56,-11.48,;7.56,-9.94,;8.81,-8.69,;10.5,-9.14,;10.55,-10.88,;12.08,-11.73,;13.57,-10.81,;13.54,-9.05,;11.98,-8.22,;4.9,-9.94,;3.59,-9.15,;2.26,-9.92,;2.26,-11.48,;3.59,-12.23,;4.9,-11.48,;6.23,-12.24,;6.25,-13.77,;7.58,-14.53,;7.58,-16.1,;6.25,-16.86,;4.9,-16.1,;3.57,-16.86,;2.23,-16.1,;2.23,-14.56,;3.57,-13.77,;4.9,-14.56,)| Show InChI InChI=1S/C24H24N2O/c1-18-22(17-25-13-15-27-16-14-25)21-10-4-5-11-24(21)26(18)23-12-6-8-19-7-2-3-9-20(19)23/h2-12H,13-17H2,1H3 | PDB
Reactome pathway
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| Article
| 7.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50287802
((4-Chloro-phenyl)-[5-methoxy-2-methyl-3-(2-morphol...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H25ClN2O3/c1-16-20(9-10-25-11-13-29-14-12-25)21-15-19(28-2)7-8-22(21)26(16)23(27)17-3-5-18(24)6-4-17/h3-8,15H,9-14H2,1-2H3 | PDB
NCI pathway
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Similars
| Article
| 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50287804
(2-[1-(3-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H23ClN2O4/c1-15-19(14-22(27)25-8-10-30-11-9-25)20-13-18(29-2)6-7-21(20)26(15)23(28)16-4-3-5-17(24)12-16/h3-7,12-13H,8-11,14H2,1-2H3 | PDB
NCI pathway
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| 1.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM17638
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB
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| Article
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50287811
(2-[1-(2,3-Dichloro-benzyl)-5-methoxy-2-methyl-1H-i...)Show SMILES COc1ccc2n(Cc3cccc(Cl)c3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-18(13-22(28)26-8-10-30-11-9-26)19-12-17(29-2)6-7-21(19)27(15)14-16-4-3-5-20(24)23(16)25/h3-7,12H,8-11,13-14H2,1-2H3 | PDB
NCI pathway
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Similars
| Article
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50090806
(2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H23ClN2O4/c1-15-19(14-22(27)25-9-11-30-12-10-25)20-13-18(29-2)7-8-21(20)26(15)23(28)16-3-5-17(24)6-4-16/h3-8,13H,9-12,14H2,1-2H3 | PDB
NCI pathway
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| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM22952
(CHEMBL73572 | Indomethacin derivative, 5 | methyl ...)Show SMILES COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3 | PDB
NCI pathway
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| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM17638
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB
Reactome pathway
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| Article
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2 |
Bioorg Med Chem Lett 6: 2263-2268 (1996)
Article DOI: 10.1016/0960-894X(96)00426-X
BindingDB Entry DOI: 10.7270/Q2MS3SRN |
More data for this
Ligand-Target Pair | |
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