Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50042269 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)) | BDBM50234380
(CHEMBL245876 | quinolin-8-yl 4-methyl-3-(piperidin...)Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Oc1cccc2cccnc12 Show InChI InChI=1S/C22H22N2O4S/c1-16-10-11-18(15-20(16)29(26,27)24-13-3-2-4-14-24)22(25)28-19-9-5-7-17-8-6-12-23-21(17)19/h5-12,15H,2-4,13-14H2,1H3 | PDB
NCI pathway
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423205
(CHEMBL245878)Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Oc1cccc2cccnc12 Show InChI InChI=1S/C21H20N2O5S/c1-15-7-8-17(14-19(15)29(25,26)23-10-12-27-13-11-23)21(24)28-18-6-2-4-16-5-3-9-22-20(16)18/h2-9,14H,10-13H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423209
(CHEMBL247331)Show SMILES O=C(Oc1cccc2cccnc12)c1cccc(c1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C21H20N2O4S/c24-21(27-19-11-5-7-16-9-6-12-22-20(16)19)17-8-4-10-18(15-17)28(25,26)23-13-2-1-3-14-23/h4-12,15H,1-3,13-14H2 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423204
(CHEMBL246922)Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Oc1ccccc1Br Show InChI InChI=1S/C18H18BrNO5S/c1-13-6-7-14(18(21)25-16-5-3-2-4-15(16)19)12-17(13)26(22,23)20-8-10-24-11-9-20/h2-7,12H,8-11H2,1H3 | PDB
NCI pathway
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PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423207
(CHEMBL393018)Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Oc1cccc2cccnc12 Show InChI InChI=1S/C21H20N2O6S/c1-27-17-8-7-16(14-19(17)30(25,26)23-10-12-28-13-11-23)21(24)29-18-6-2-4-15-5-3-9-22-20(15)18/h2-9,14H,10-13H2,1H3 | PDB
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PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423202
(CHEMBL393224)Show SMILES O=C(Oc1cccc2cccnc12)c1cccc(c1)S(=O)(=O)N1CCCCCC1 Show InChI InChI=1S/C22H22N2O4S/c25-22(28-20-12-6-8-17-10-7-13-23-21(17)20)18-9-5-11-19(16-18)29(26,27)24-14-3-1-2-4-15-24/h5-13,16H,1-4,14-15H2 | PDB
NCI pathway
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PC sid
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423216
(CHEMBL247332)Show SMILES O=C(Oc1cccc2cccnc12)c1cccc(c1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C20H18N2O4S/c23-20(26-18-10-4-6-15-8-5-11-21-19(15)18)16-7-3-9-17(14-16)27(24,25)22-12-1-2-13-22/h3-11,14H,1-2,12-13H2 | PDB
NCI pathway
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PC sid
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| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423208
(CHEMBL246302)Show SMILES Oc1ccccc1NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1 Show InChI InChI=1S/C19H21ClN2O4S/c20-15-10-9-14(19(24)21-16-7-3-4-8-17(16)23)13-18(15)27(25,26)22-11-5-1-2-6-12-22/h3-4,7-10,13,23H,1-2,5-6,11-12H2,(H,21,24) | PDB
NCI pathway
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423214
(CHEMBL427873)Show SMILES Clc1ccc(NC(=O)c2cccc3ccccc23)cc1S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C21H19ClN2O4S/c22-19-9-8-16(14-20(19)29(26,27)24-10-12-28-13-11-24)23-21(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2,(H,23,25) | PDB
NCI pathway
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| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423217
(CHEMBL246923)Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1cccc2cnccc12 Show InChI InChI=1S/C22H23N3O3S/c1-16-8-9-17(14-21(16)29(27,28)25-12-3-2-4-13-25)22(26)24-20-7-5-6-18-15-23-11-10-19(18)20/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,26) | PDB
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| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423213
(CHEMBL248344)Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1cccc(F)c1 Show InChI InChI=1S/C19H21FN2O3S/c1-14-8-9-15(19(23)21-17-7-5-6-16(20)13-17)12-18(14)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23) | PDB
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| Article
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| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423203
(CHEMBL246095)Show SMILES Clc1ccccc1C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C17H16Cl2N2O4S/c18-14-4-2-1-3-13(14)17(22)20-12-5-6-15(19)16(11-12)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22) | PDB
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| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423201
(CHEMBL246303)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C#N)cc1S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H19N3O4S/c1-14-5-6-17(21-19(23)16-4-2-3-15(11-16)13-20)12-18(14)27(24,25)22-7-9-26-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,21,23) | PDB
NCI pathway
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| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423206
(CHEMBL395672)Show SMILES Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C24H24N2O5S/c1-18-11-12-19(17-23(18)32(28,29)26-13-15-30-16-14-26)25-24(27)21-9-5-6-10-22(21)31-20-7-3-2-4-8-20/h2-12,17H,13-16H2,1H3,(H,25,27) | PDB
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PC cid
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| Article
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM70185
(4-methyl-N-(5-methyl-2-pyridinyl)-3-(1-piperidinyl...)Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)nc1 Show InChI InChI=1S/C19H23N3O3S/c1-14-6-9-18(20-13-14)21-19(23)16-8-7-15(2)17(12-16)26(24,25)22-10-4-3-5-11-22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,21,23) | PDB
NCI pathway
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| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423200
(CHEMBL246713)Show SMILES COc1ccccc1OC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H21NO6S/c1-14-7-8-15(19(21)26-17-6-4-3-5-16(17)24-2)13-18(14)27(22,23)20-9-11-25-12-10-20/h3-8,13H,9-12H2,1-2H3 | PDB
NCI pathway
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PC cid
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PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50234402
(4-methyl-N-phenyl-3-(piperidin-1-ylsulfonyl)benzam...)Show InChI InChI=1S/C19H22N2O3S/c1-15-10-11-16(19(22)20-17-8-4-2-5-9-17)14-18(15)25(23,24)21-12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,20,22) | PDB
NCI pathway
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423211
(CHEMBL245891)Show SMILES Clc1ccc(NC(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C17H17ClN2O4S/c18-15-7-6-14(19-17(21)13-4-2-1-3-5-13)12-16(15)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21) | PDB
NCI pathway
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423215
(CHEMBL246093)Show SMILES Nc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)c1 Show InChI InChI=1S/C18H21N3O3S/c19-15-7-5-8-16(13-15)20-18(22)14-6-4-9-17(12-14)25(23,24)21-10-2-1-3-11-21/h4-9,12-13H,1-3,10-11,19H2,(H,20,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423212
(CHEMBL248345)Show InChI InChI=1S/C18H20N2O3S/c1-14-9-10-15(18(21)19-16-7-3-2-4-8-16)13-17(14)24(22,23)20-11-5-6-12-20/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50423210
(CHEMBL248140)Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C20H24N2O3S/c1-15-6-10-18(11-7-15)21-20(23)17-9-8-16(2)19(14-17)26(24,25)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CB1 receptor |
Bioorg Med Chem Lett 17: 272-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.049
BindingDB Entry DOI: 10.7270/Q2FN17GR |
More data for this
Ligand-Target Pair | |
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