Found 31 hits Enz. Inhib. hit(s) with all data for entry = 5535 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)) | 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
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| DrugBank
Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM29094
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18| Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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PC sid
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| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86887
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCc4ccccc34)c(C)c2c1 Show InChI InChI=1S/C27H32N2O4S/c1-17-13-18(2)16-29(15-17)34(31,32)21-11-12-25-23(14-21)19(3)26(33-25)27(30)28-24-10-6-8-20-7-4-5-9-22(20)24/h4-5,7,9,11-12,14,17-18,24H,6,8,10,13,15-16H2,1-3H3,(H,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
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| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86881
(CAS_15998383 | N-(2-methoxybenzyl)-5-(3,5-dimethyl...)Show SMILES COc1ccccc1CNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1 Show InChI InChI=1S/C25H30N2O5S/c1-16-11-17(2)15-27(14-16)33(29,30)20-9-10-23-21(12-20)18(3)24(32-23)25(28)26-13-19-7-5-6-8-22(19)31-4/h5-10,12,16-17H,11,13-15H2,1-4H3,(H,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86879
(CAS_22422464 | N-(2-chlorobenzyl)-5-(3,5-dimethylp...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccccc3Cl)c(C)c2c1 Show InChI InChI=1S/C24H27ClN2O4S/c1-15-10-16(2)14-27(13-15)32(29,30)19-8-9-22-20(11-19)17(3)23(31-22)24(28)26-12-18-6-4-5-7-21(18)25/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,26,28) | PDB
NCI pathway
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KEGG
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PC cid
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| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86880
(CAS_11496202 | N-benzyl-5-(3,5-dimethylpiperidin-1...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N(C)Cc3ccccc3)c(C)c2c1 Show InChI InChI=1S/C25H30N2O4S/c1-17-12-18(2)15-27(14-17)32(29,30)21-10-11-23-22(13-21)19(3)24(31-23)25(28)26(4)16-20-8-6-5-7-9-20/h5-11,13,17-18H,12,14-16H2,1-4H3 | PDB
NCI pathway
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KEGG
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| Purchase
PC cid
PC sid
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| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86885
(CAS_22422466 | N-(4-fluorobenzyl)-5-(3,5-dimethylp...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1 Show InChI InChI=1S/C24H27FN2O4S/c1-15-10-16(2)14-27(13-15)32(29,30)20-8-9-22-21(11-20)17(3)23(31-22)24(28)26-12-18-4-6-19(25)7-5-18/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
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| Purchase
PC cid
PC sid
UniChem
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| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86886
(CAS_15991674 | N-benzyl-5-(3,5-dimethylpiperidin-1...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccccc3)c(C)c2c1 Show InChI InChI=1S/C24H28N2O4S/c1-16-11-17(2)15-26(14-16)31(28,29)20-9-10-22-21(12-20)18(3)23(30-22)24(27)25-13-19-7-5-4-6-8-19/h4-10,12,16-17H,11,13-15H2,1-3H3,(H,25,27) | PDB
NCI pathway
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KEGG
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PC sid
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| Article
PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86884
(CAS_15998702 | N-cyclopentyl-5-(3,5-dimethylpiperi...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1 Show InChI InChI=1S/C22H30N2O4S/c1-14-10-15(2)13-24(12-14)29(26,27)18-8-9-20-19(11-18)16(3)21(28-20)22(25)23-17-6-4-5-7-17/h8-9,11,14-15,17H,4-7,10,12-13H2,1-3H3,(H,23,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86882
(CAS_4055807 | N-benzyl-5-(3,5-dimethylpiperidin-1-...)Show SMILES CCN(Cc1ccccc1)C(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1 Show InChI InChI=1S/C26H32N2O4S/c1-5-27(17-21-9-7-6-8-10-21)26(29)25-20(4)23-14-22(11-12-24(23)32-25)33(30,31)28-15-18(2)13-19(3)16-28/h6-12,14,18-19H,5,13,15-17H2,1-4H3 | PDB
NCI pathway
Reactome pathway
KEGG
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PC cid
PC sid
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| Article
PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86889
(CAS_4621779 | N-butyl-5-(3,5-dimethylpiperidin-1-y...)Show SMILES CCCCNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1 Show InChI InChI=1S/C21H30N2O4S/c1-5-6-9-22-21(24)20-16(4)18-11-17(7-8-19(18)27-20)28(25,26)23-12-14(2)10-15(3)13-23/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3,(H,22,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86876
(CAS_15998061 | N-(2-ethoxybenzyl)-5-(3,5-dimethylp...)Show SMILES CCOc1ccccc1CNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1 Show InChI InChI=1S/C26H32N2O5S/c1-5-32-23-9-7-6-8-20(23)14-27-26(29)25-19(4)22-13-21(10-11-24(22)33-25)34(30,31)28-15-17(2)12-18(3)16-28/h6-11,13,17-18H,5,12,14-16H2,1-4H3,(H,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86877
(CAS_3379236 | N-cyclohexyl-5-(3,5-dimethylpiperidi...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCCC3)c(C)c2c1 Show InChI InChI=1S/C23H32N2O4S/c1-15-11-16(2)14-25(13-15)30(27,28)19-9-10-21-20(12-19)17(3)22(29-21)23(26)24-18-7-5-4-6-8-18/h9-10,12,15-16,18H,4-8,11,13-14H2,1-3H3,(H,24,26) | PDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86888
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-N,3-dimethy...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N(C)CCc3ccccc3)c(C)c2c1 Show InChI InChI=1S/C26H32N2O4S/c1-18-14-19(2)17-28(16-18)33(30,31)22-10-11-24-23(15-22)20(3)25(32-24)26(29)27(4)13-12-21-8-6-5-7-9-21/h5-11,15,18-19H,12-14,16-17H2,1-4H3 | PDB
NCI pathway
Reactome pathway
KEGG
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UniProtKB/TrEMBL
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86883
(CAS_3340785 | NSC_3340785 | azepan-1-yl(5-(3,5-dim...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N3CCCCCC3)c(C)c2c1 Show InChI InChI=1S/C23H32N2O4S/c1-16-12-17(2)15-25(14-16)30(27,28)19-8-9-21-20(13-19)18(3)22(29-21)23(26)24-10-6-4-5-7-11-24/h8-9,13,16-17H,4-7,10-12,14-15H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
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| Article
PubMed
| 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM86891
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCCc3ccccc3)c(C)c2c1 Show InChI InChI=1S/C25H30N2O4S/c1-17-13-18(2)16-27(15-17)32(29,30)21-9-10-23-22(14-21)19(3)24(31-23)25(28)26-12-11-20-7-5-4-6-8-20/h4-10,14,17-18H,11-13,15-16H2,1-3H3,(H,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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PubMed
| 198 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(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
Reactome pathway
KEGG
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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
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| Article
PubMed
| 554 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86882
(CAS_4055807 | N-benzyl-5-(3,5-dimethylpiperidin-1-...)Show SMILES CCN(Cc1ccccc1)C(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1 Show InChI InChI=1S/C26H32N2O4S/c1-5-27(17-21-9-7-6-8-10-21)26(29)25-20(4)23-14-22(11-12-24(23)32-25)33(30,31)28-15-18(2)13-19(3)16-28/h6-12,14,18-19H,5,13,15-17H2,1-4H3 | PDB
Reactome pathway
KEGG
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PC cid
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| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86885
(CAS_22422466 | N-(4-fluorobenzyl)-5-(3,5-dimethylp...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1 Show InChI InChI=1S/C24H27FN2O4S/c1-15-10-16(2)14-27(13-15)32(29,30)20-8-9-22-21(11-20)17(3)23(31-22)24(28)26-12-18-4-6-19(25)7-5-18/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,26,28) | PDB
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| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86879
(CAS_22422464 | N-(2-chlorobenzyl)-5-(3,5-dimethylp...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccccc3Cl)c(C)c2c1 Show InChI InChI=1S/C24H27ClN2O4S/c1-15-10-16(2)14-27(13-15)32(29,30)19-8-9-22-20(11-19)17(3)23(31-22)24(28)26-12-18-6-4-5-7-21(18)25/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,26,28) | PDB
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| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86883
(CAS_3340785 | NSC_3340785 | azepan-1-yl(5-(3,5-dim...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N3CCCCCC3)c(C)c2c1 Show InChI InChI=1S/C23H32N2O4S/c1-16-12-17(2)15-25(14-16)30(27,28)19-8-9-21-20(13-19)18(3)22(29-21)23(26)24-10-6-4-5-7-11-24/h8-9,13,16-17H,4-7,10-12,14-15H2,1-3H3 | PDB
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| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86891
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCCc3ccccc3)c(C)c2c1 Show InChI InChI=1S/C25H30N2O4S/c1-17-13-18(2)16-27(15-17)32(29,30)21-9-10-23-22(14-21)19(3)24(31-23)25(28)26-12-11-20-7-5-4-6-8-20/h4-10,14,17-18H,11-13,15-16H2,1-3H3,(H,26,28) | PDB
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| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86880
(CAS_11496202 | N-benzyl-5-(3,5-dimethylpiperidin-1...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N(C)Cc3ccccc3)c(C)c2c1 Show InChI InChI=1S/C25H30N2O4S/c1-17-12-18(2)15-27(14-17)32(29,30)21-10-11-23-22(13-21)19(3)24(31-23)25(28)26(4)16-20-8-6-5-7-9-20/h5-11,13,17-18H,12,14-16H2,1-4H3 | PDB
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| 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86886
(CAS_15991674 | N-benzyl-5-(3,5-dimethylpiperidin-1...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccccc3)c(C)c2c1 Show InChI InChI=1S/C24H28N2O4S/c1-16-11-17(2)15-26(14-16)31(28,29)20-9-10-22-21(12-20)18(3)23(30-22)24(27)25-13-19-7-5-4-6-8-19/h4-10,12,16-17H,11,13-15H2,1-3H3,(H,25,27) | PDB
Reactome pathway
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| 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86884
(CAS_15998702 | N-cyclopentyl-5-(3,5-dimethylpiperi...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCC3)c(C)c2c1 Show InChI InChI=1S/C22H30N2O4S/c1-14-10-15(2)13-24(12-14)29(26,27)18-8-9-20-19(11-18)16(3)21(28-20)22(25)23-17-6-4-5-7-17/h8-9,11,14-15,17H,4-7,10,12-13H2,1-3H3,(H,23,25) | PDB
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| 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86889
(CAS_4621779 | N-butyl-5-(3,5-dimethylpiperidin-1-y...)Show SMILES CCCCNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1 Show InChI InChI=1S/C21H30N2O4S/c1-5-6-9-22-21(24)20-16(4)18-11-17(7-8-19(18)27-20)28(25,26)23-12-14(2)10-15(3)13-23/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3,(H,22,24) | PDB
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| 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86876
(CAS_15998061 | N-(2-ethoxybenzyl)-5-(3,5-dimethylp...)Show SMILES CCOc1ccccc1CNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1 Show InChI InChI=1S/C26H32N2O5S/c1-5-32-23-9-7-6-8-20(23)14-27-26(29)25-19(4)22-13-21(10-11-24(22)33-25)34(30,31)28-15-17(2)12-18(3)16-28/h6-11,13,17-18H,5,12,14-16H2,1-4H3,(H,27,29) | PDB
Reactome pathway
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| 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86887
(5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCc4ccccc34)c(C)c2c1 Show InChI InChI=1S/C27H32N2O4S/c1-17-13-18(2)16-29(15-17)34(31,32)21-11-12-25-23(14-21)19(3)26(33-25)27(30)28-24-10-6-8-20-7-4-5-9-22(20)24/h4-5,7,9,11-12,14,17-18,24H,6,8,10,13,15-16H2,1-3H3,(H,28,30) | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86877
(CAS_3379236 | N-cyclohexyl-5-(3,5-dimethylpiperidi...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NC3CCCCC3)c(C)c2c1 Show InChI InChI=1S/C23H32N2O4S/c1-15-11-16(2)14-25(13-15)30(27,28)19-9-10-21-20(12-19)17(3)22(29-21)23(26)24-18-7-5-4-6-8-18/h9-10,12,15-16,18H,4-8,11,13-14H2,1-3H3,(H,24,26) | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86890
(5-(3,5-dimethyl-piperidine-1-sulfonyl)-3-methyl-be...)Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(C)cc3)c(C)c2c1 Show InChI InChI=1S/C25H30N2O4S/c1-16-5-7-20(8-6-16)13-26-25(28)24-19(4)22-12-21(9-10-23(22)31-24)32(29,30)27-14-17(2)11-18(3)15-27/h5-10,12,17-18H,11,13-15H2,1-4H3,(H,26,28) | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86881
(CAS_15998383 | N-(2-methoxybenzyl)-5-(3,5-dimethyl...)Show SMILES COc1ccccc1CNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1 Show InChI InChI=1S/C25H30N2O5S/c1-16-11-17(2)15-27(14-16)33(29,30)20-9-10-23-21(12-20)18(3)24(32-23)25(28)26-13-19-7-5-6-8-22(19)31-4/h5-10,12,16-17H,11,13-15H2,1-4H3,(H,26,28) | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133
BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this
Ligand-Target Pair | |
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