Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50015729 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)) | BDBM85739
(CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12 Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28) | PDB
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PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 2 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50160434
((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12 Show InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3 | PDB
Reactome pathway
KEGG
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PubMed
| 31.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for human cannabinoid receptor 2 was determined by using [3H]-CP-55,940 as radioligand |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM85739
(CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12 Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28) | PDB
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PubMed
| 35.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 2 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM85739
(CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...)Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12 Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28) | PDB
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| Article
PubMed
| 35.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 2 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160429
(CHEMBL181675 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H29NO8S3/c1-21(30-39(31,32)20-22-7-5-4-6-8-22)23-9-14-26(15-10-23)40(33,34)28-18-13-25(38-3)19-29(28)41(35,36)27-16-11-24(37-2)12-17-27/h4-19,21,30H,20H2,1-3H3/t21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| Article
PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160443
(3,4-Dichloro-N-((S)-1-{4-[4-methoxy-2-(4-methoxy-b...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H25Cl2NO7S2/c1-18(32-29(33)20-6-14-25(30)26(31)16-20)19-4-10-23(11-5-19)40(34,35)27-15-9-22(39-3)17-28(27)41(36,37)24-12-7-21(38-2)8-13-24/h4-18H,1-3H3,(H,32,33)/t18-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160445
(3,5-Dichloro-N-((S)-1-{4-[4-methoxy-2-(4-methoxy-b...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H25Cl2NO8S3/c1-18(31-42(36,37)24-13-14-25(29)26(30)17-24)19-4-9-22(10-5-19)40(32,33)27-15-8-21(39-3)16-28(27)41(34,35)23-11-6-20(38-2)7-12-23/h4-18,31H,1-3H3/t18-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160439
(2,2,2-Trifluoro-N-((S)-1-{4-[4-methoxy-2-(4-methox...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)C(F)(F)F Show InChI InChI=1S/C24H22F3NO7S2/c1-15(28-23(29)24(25,26)27)16-4-9-19(10-5-16)36(30,31)21-13-8-18(35-3)14-22(21)37(32,33)20-11-6-17(34-2)7-12-20/h4-15H,1-3H3,(H,28,29)/t15-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 235 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160431
(CHEMBL361957 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)Cc1ccccc1 Show InChI InChI=1S/C30H29NO7S2/c1-21(31-30(32)19-22-7-5-4-6-8-22)23-9-14-26(15-10-23)39(33,34)28-18-13-25(38-3)20-29(28)40(35,36)27-16-11-24(37-2)12-17-27/h4-18,20-21H,19H2,1-3H3,(H,31,32)/t21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 478 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160432
(CHEMBL180963 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H27NO8S3/c1-20(29-40(34,35)26-7-5-4-6-8-26)21-9-14-24(15-10-21)38(30,31)27-18-13-23(37-3)19-28(27)39(32,33)25-16-11-22(36-2)12-17-25/h4-20,29H,1-3H3/t20-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| Article
PubMed
| 855 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160442
(CHEMBL360697 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C30H29NO7S2/c1-20-5-7-23(8-6-20)30(32)31-21(2)22-9-14-26(15-10-22)39(33,34)28-18-13-25(38-4)19-29(28)40(35,36)27-16-11-24(37-3)12-17-27/h5-19,21H,1-4H3,(H,31,32)/t21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 884 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160446
(CHEMBL180465 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NS(C)(=O)=O Show InChI InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3/t16-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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PC cid
PC sid
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| Article
PubMed
| 905 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160441
(Butane-1-sulfonic acid ((S)-1-{4-[4-methoxy-2-(4-m...)Show SMILES CCCCS(=O)(=O)N[C@@H](C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C26H31NO8S3/c1-5-6-17-36(28,29)27-19(2)20-7-12-23(13-8-20)37(30,31)25-16-11-22(35-4)18-26(25)38(32,33)24-14-9-21(34-3)10-15-24/h7-16,18-19,27H,5-6,17H2,1-4H3/t19-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160425
(4-Methoxy-N-((S)-1-{4-[4-methoxy-2-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C30H29NO8S2/c1-20(31-30(32)22-5-9-23(37-2)10-6-22)21-7-14-26(15-8-21)40(33,34)28-18-13-25(39-4)19-29(28)41(35,36)27-16-11-24(38-3)12-17-27/h5-20H,1-4H3,(H,31,32)/t20-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160444
(CHEMBL180748 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)Show SMILES CCCC(=O)N[C@@H](C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C26H29NO7S2/c1-5-6-26(28)27-18(2)19-7-12-22(13-8-19)35(29,30)24-16-11-21(34-4)17-25(24)36(31,32)23-14-9-20(33-3)10-15-23/h7-18H,5-6H2,1-4H3,(H,27,28)/t18-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160436
(1-(4-Fluoro-phenyl)-3-((S)-1-{4-[4-methoxy-2-(4-me...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C29H27FN2O7S2/c1-19(31-29(33)32-22-8-6-21(30)7-9-22)20-4-13-25(14-5-20)40(34,35)27-17-12-24(39-3)18-28(27)41(36,37)26-15-10-23(38-2)11-16-26/h4-19H,1-3H3,(H2,31,32,33)/t19-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160428
(CHEMBL359712 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(C)=O Show InChI InChI=1S/C24H25NO7S2/c1-16(25-17(2)26)18-5-10-21(11-6-18)33(27,28)23-14-9-20(32-4)15-24(23)34(29,30)22-12-7-19(31-3)8-13-22/h5-16H,1-4H3,(H,25,26)/t16-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160440
(CHEMBL180196 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C29H29NO8S3/c1-20-5-12-27(13-6-20)41(35,36)30-21(2)22-7-14-25(15-8-22)39(31,32)28-18-11-24(38-4)19-29(28)40(33,34)26-16-9-23(37-3)10-17-26/h5-19,21,30H,1-4H3/t21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160427
(CHEMBL181288 | Ethanesulfonic acid ((S)-1-{4-[4-me...)Show SMILES CCS(=O)(=O)N[C@@H](C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C24H27NO8S3/c1-5-34(26,27)25-17(2)18-6-11-21(12-7-18)35(28,29)23-15-10-20(33-4)16-24(23)36(30,31)22-13-8-19(32-3)9-14-22/h6-17,25H,5H2,1-4H3/t17-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160430
(CHEMBL180788 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)C(C)(C)C Show InChI InChI=1S/C27H31NO7S2/c1-18(28-26(29)27(2,3)4)19-7-12-22(13-8-19)36(30,31)24-16-11-21(35-6)17-25(24)37(32,33)23-14-9-20(34-5)10-15-23/h7-18H,1-6H3,(H,28,29)/t18-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160438
(CHEMBL181677 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)Show SMILES CCC(=O)N[C@@H](C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C25H27NO7S2/c1-5-25(27)26-17(2)18-6-11-21(12-7-18)34(28,29)23-15-10-20(33-4)16-24(23)35(30,31)22-13-8-19(32-3)9-14-22/h6-17H,5H2,1-4H3,(H,26,27)/t17-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160435
(CHEMBL180450 | Cyclopropanecarboxylic acid ((S)-1-...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)C1CC1 Show InChI InChI=1S/C26H27NO7S2/c1-17(27-26(28)19-4-5-19)18-6-11-22(12-7-18)35(29,30)24-15-10-21(34-3)16-25(24)36(31,32)23-13-8-20(33-2)9-14-23/h6-17,19H,4-5H2,1-3H3,(H,27,28)/t17-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160437
(1-((S)-1-{4-[4-Methoxy-2-(4-methoxy-benzenesulfony...)Show SMILES CCCNC(=O)N[C@@H](C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C26H30N2O7S2/c1-5-16-27-26(29)28-18(2)19-6-11-22(12-7-19)36(30,31)24-15-10-21(35-4)17-25(24)37(32,33)23-13-8-20(34-3)9-14-23/h6-15,17-18H,5,16H2,1-4H3,(H2,27,28,29)/t18-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160424
(1-((S)-1-{4-[4-Methoxy-2-(4-methoxy-benzenesulfony...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C30H30N2O7S2/c1-20-5-9-23(10-6-20)32-30(33)31-21(2)22-7-14-26(15-8-22)40(34,35)28-18-13-25(39-4)19-29(28)41(36,37)27-16-11-24(38-3)12-17-27/h5-19,21H,1-4H3,(H2,31,32,33)/t21-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity for cannabinoid receptor 1 |
Bioorg Med Chem Lett 15: 783-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7 |
More data for this
Ligand-Target Pair | |
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