Found 170 hits with Last Name = 'boykow' and Initial = 'gc' 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 |
GTP-binding nuclear protein GSP1/CNR1
(Saccharomyces cerevisiae) | BDBM50176988
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| 0.000350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
GTP-binding nuclear protein GSP1/CNR1
(Saccharomyces cerevisiae) | 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 MMDB
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UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309061
(CHEMBL591541 | N-(((3R,6S)-1-(4-chlorophenyl)-6-(2...)Show SMILES Clc1ccc(cc1)N1C[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C28H25Cl3N2O2S/c29-21-9-12-23(13-10-21)33-18-19(8-15-27(33)25-14-11-22(30)16-26(25)31)17-32-36(34,35)28-7-3-5-20-4-1-2-6-24(20)28/h1-7,9-14,16,19,27,32H,8,15,17-18H2/t19-,27-/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
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| DrugBank Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309047
(CHEMBL591352 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)Show SMILES Clc1ccc(cc1)N1C[C@H](CCNS(=O)(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-2-5-18(6-3-16)27-14-15(11-12-26-30(28,29)19-7-8-19)1-10-22(27)20-9-4-17(24)13-21(20)25/h2-6,9,13,15,19,22,26H,1,7-8,10-12,14H2/t15-,22-/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
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309046
(CHEMBL591994 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)Show SMILES Clc1ccc(cc1)N1C[C@H](CCNS(=O)(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H24Cl3N3O2S/c27-20-4-7-22(8-5-20)32-17-19(3-12-26(32)24-11-6-21(28)15-25(24)29)13-14-31-35(33,34)23-9-1-18(16-30)2-10-23/h1-2,4-11,15,19,26,31H,3,12-14,17H2/t19-,26-/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
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309049
(CHEMBL591542 | N-(((3S,6S)-1-(4-chlorophenyl)-6-(2...)Show SMILES Clc1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H22Cl3N3O/c27-20-6-9-22(10-7-20)32-16-18(3-12-25(32)23-11-8-21(28)13-24(23)29)15-31-26(33)19-4-1-17(14-30)2-5-19/h1-2,4-11,13,18,25H,3,12,15-16H2,(H,31,33)/t18-,25-/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
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309043
(CHEMBL591067 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)Show SMILES Clc1ccc(cc1)N1C[C@H](CCNC(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C27H24Cl3N3O/c28-21-6-9-23(10-7-21)33-17-19(3-12-26(33)24-11-8-22(29)15-25(24)30)13-14-32-27(34)20-4-1-18(16-31)2-5-20/h1-2,4-11,15,19,26H,3,12-14,17H2,(H,32,34)/t19-,26-/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
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
GTP-binding nuclear protein GSP1/CNR1
(Saccharomyces cerevisiae) | BDBM87019
(1-(2,4-dichlorophenyl)-4-(hydroxymethyl)-N-(piperi...)Show SMILES OCc1c(nn(c1-c1ccc(cc1)-c1cccnc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C27H25Cl2N5O2/c28-21-10-11-24(23(29)15-21)34-26(19-8-6-18(7-9-19)20-5-4-12-30-16-20)22(17-35)25(31-34)27(36)32-33-13-2-1-3-14-33/h4-12,15-16,35H,1-3,13-14,17H2,(H,32,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309045
(CHEMBL603529 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)Show SMILES Clc1ccc(cc1)N1C[C@H](CCNS(=O)(=O)c2cccnc2)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H24Cl3N3O2S/c25-18-4-7-20(8-5-18)30-16-17(3-10-24(30)22-9-6-19(26)14-23(22)27)11-13-29-33(31,32)21-2-1-12-28-15-21/h1-2,4-9,12,14-15,17,24,29H,3,10-11,13,16H2/t17-,24-/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
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309050
(CHEMBL591540 | N-(((3R,6S)-1-(4-chlorophenyl)-6-(2...)Show SMILES Clc1ccc(cc1)N1C[C@H](CNS(=O)(=O)c2cccnc2)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C23H22Cl3N3O2S/c24-17-4-7-19(8-5-17)29-15-16(13-28-32(30,31)20-2-1-11-27-14-20)3-10-23(29)21-9-6-18(25)12-22(21)26/h1-2,4-9,11-12,14,16,23,28H,3,10,13,15H2/t16-,23-/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
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309030
((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-...)Show SMILES CC(C)CNS(=O)(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C21H25Cl3N2O2S/c1-14(2)12-25-29(27,28)18-8-10-21(19-9-5-16(23)11-20(19)24)26(13-18)17-6-3-15(22)4-7-17/h3-7,9,11,14,18,21,25H,8,10,12-13H2,1-2H3/t18-,21+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
GTP-binding nuclear protein GSP1/CNR1
(Saccharomyces cerevisiae) | 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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309041
(CHEMBL601936 | tert-butyl 4-(((3S,6S)-1-(4-chlorop...)Show SMILES CC(C)(C)OC(=O)N1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r| Show InChI InChI=1S/C27H34Cl3N3O2/c1-27(2,3)35-26(34)32-14-12-31(13-15-32)17-19-4-11-25(23-10-7-21(29)16-24(23)30)33(18-19)22-8-5-20(28)6-9-22/h5-10,16,19,25H,4,11-15,17-18H2,1-3H3/t19-,25-/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
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309027
((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-...)Show SMILES CC(C)CCNS(=O)(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C22H27Cl3N2O2S/c1-15(2)11-12-26-30(28,29)19-8-10-22(20-9-5-17(24)13-21(20)25)27(14-19)18-6-3-16(23)4-7-18/h3-7,9,13,15,19,22,26H,8,10-12,14H2,1-2H3/t19-,22+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309036
(1-(4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorop...)Show SMILES CC(C)(C)CC(=O)N1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r| Show InChI InChI=1S/C28H36Cl3N3O/c1-28(2,3)17-27(35)33-14-12-32(13-15-33)18-20-4-11-26(24-10-7-22(30)16-25(24)31)34(19-20)23-8-5-21(29)6-9-23/h5-10,16,20,26H,4,11-15,17-19H2,1-3H3/t20-,26-/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
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309054
(CHEMBL592628 | trans-1-(4-chlorophenyl)-2-(2,4-dic...)Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1F |r| Show InChI InChI=1S/C24H20Cl3F2N/c25-17-3-6-19(7-4-17)30-14-16(11-15-1-9-22(28)23(29)12-15)2-10-24(30)20-8-5-18(26)13-21(20)27/h1,3-9,12-13,16,24H,2,10-11,14H2/t16-,24-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309028
((2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-...)Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)S(=O)(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-4-7-18(8-5-16)27-15-19(30(28,29)26-12-2-1-3-13-26)9-11-22(27)20-10-6-17(24)14-21(20)25/h4-8,10,14,19,22H,1-3,9,11-13,15H2/t19-,22+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309033
((3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dic...)Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C24H27Cl3N2O/c25-17-7-10-20(11-8-17)29-15-16(24(30)28-19-4-2-1-3-5-19)6-13-23(29)21-12-9-18(26)14-22(21)27/h7-12,14,16,19,23H,1-6,13,15H2,(H,28,30)/t16-,23+/m1/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
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
GTP-binding nuclear protein GSP2/CNR2
(Saccharomyces cerevisiae) | BDBM50176988
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309031
((3R,6S)-1-(4-chlorophenyl)-N-cyclobutyl-6-(2,4-dic...)Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)C(=O)NC1CCC1 |r| Show InChI InChI=1S/C22H23Cl3N2O/c23-15-5-8-18(9-6-15)27-13-14(22(28)26-17-2-1-3-17)4-11-21(27)19-10-7-16(24)12-20(19)25/h5-10,12,14,17,21H,1-4,11,13H2,(H,26,28)/t14-,21+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309034
((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-...)Show SMILES CC(C)CNC(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C22H25Cl3N2O/c1-14(2)12-26-22(28)15-3-10-21(19-9-6-17(24)11-20(19)25)27(13-15)18-7-4-16(23)5-8-18/h4-9,11,14-15,21H,3,10,12-13H2,1-2H3,(H,26,28)/t15-,21+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309029
((3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dic...)Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)S(=O)(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C23H27Cl3N2O2S/c24-16-6-9-19(10-7-16)28-15-20(31(29,30)27-18-4-2-1-3-5-18)11-13-23(28)21-12-8-17(25)14-22(21)26/h6-10,12,14,18,20,23,27H,1-5,11,13,15H2/t20-,23+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309044
(CHEMBL591066 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)Show SMILES CC(=O)NCC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C21H23Cl3N2O/c1-14(27)25-11-10-15-2-9-21(19-8-5-17(23)12-20(19)24)26(13-15)18-6-3-16(22)4-7-18/h3-8,12,15,21H,2,9-11,13H2,1H3,(H,25,27)/t15-,21-/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
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309038
(1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophen...)Show SMILES Clc1ccc(cc1)N1C[C@H](CN2CCN(CC2)S(=O)(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C25H30Cl3N3O2S/c26-19-2-5-21(6-3-19)31-17-18(1-10-25(31)23-9-4-20(27)15-24(23)28)16-29-11-13-30(14-12-29)34(32,33)22-7-8-22/h2-6,9,15,18,22,25H,1,7-8,10-14,16-17H2/t18-,25-/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
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309062
(CHEMBL591056 | N-(((3R,6S)-1-(4-chlorophenyl)-6-(2...)Show SMILES CCCS(=O)(=O)NC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C21H25Cl3N2O2S/c1-2-11-29(27,28)25-13-15-3-10-21(19-9-6-17(23)12-20(19)24)26(14-15)18-7-4-16(22)5-8-18/h4-9,12,15,21,25H,2-3,10-11,13-14H2,1H3/t15-,21-/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
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM87017
(CAS_44450408 | NSC_44450408 | S-(R)-1-((2S,3R)-1-(...)Show SMILES CC(=O)SC(CCc1ccccc1)C1C(N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C26H24FNO3S/c1-17(29)32-23(16-7-18-5-3-2-4-6-18)24-25(19-8-14-22(30)15-9-19)28(26(24)31)21-12-10-20(27)11-13-21/h2-6,8-15,23-25,30H,7,16H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| 52.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309035
(1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophen...)Show SMILES CC(C)(C)CCN1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r| Show InChI InChI=1S/C28H38Cl3N3/c1-28(2,3)12-13-32-14-16-33(17-15-32)19-21-4-11-27(25-10-7-23(30)18-26(25)31)34(20-21)24-8-5-22(29)6-9-24/h5-10,18,21,27H,4,11-17,19-20H2,1-3H3/t21-,27-/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
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309042
(CHEMBL589985 | N-(2-(1-(4-chlorophenyl)-6-(2,4-dic...)Show SMILES Clc1ccc(cc1)N1CC(CCNS(=O)(=O)C2CC2)CCC1c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-2-5-18(6-3-16)27-14-15(11-12-26-30(28,29)19-7-8-19)1-10-22(27)20-9-4-17(24)13-21(20)25/h2-6,9,13,15,19,22,26H,1,7-8,10-12,14H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309042
(CHEMBL589985 | N-(2-(1-(4-chlorophenyl)-6-(2,4-dic...)Show SMILES Clc1ccc(cc1)N1CC(CCNS(=O)(=O)C2CC2)CCC1c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-2-5-18(6-3-16)27-14-15(11-12-26-30(28,29)19-7-8-19)1-10-22(27)20-9-4-17(24)13-21(20)25/h2-6,9,13,15,19,22,26H,1,7-8,10-12,14H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309048
(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichloropheny...)Show SMILES NCC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C19H21Cl3N2/c20-14-2-5-16(6-3-14)24-12-13(9-10-23)1-8-19(24)17-7-4-15(21)11-18(17)22/h2-7,11,13,19H,1,8-10,12,23H2/t13-,19-/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
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309032
((3R,6S)-N-(4-chlorobenzyl)-1-(4-chlorophenyl)-6-(2...)Show SMILES Clc1ccc(CNC(=O)[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C25H22Cl4N2O/c26-18-4-1-16(2-5-18)14-30-25(32)17-3-12-24(22-11-8-20(28)13-23(22)29)31(15-17)21-9-6-19(27)7-10-21/h1-2,4-11,13,17,24H,3,12,14-15H2,(H,30,32)/t17-,24+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
GTP-binding nuclear protein GSP1/CNR1
(Saccharomyces cerevisiae) | BDBM50080103
(5,5-Bis-(4-bromo-phenyl)-3-(2-morpholin-4-yl-ethyl...)Show SMILES Brc1ccc(cc1)C1(NC(=O)N(CCN2CCOCC2)C1=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H21Br2N3O3/c22-17-5-1-15(2-6-17)21(16-3-7-18(23)8-4-16)19(27)26(20(28)24-21)10-9-25-11-13-29-14-12-25/h1-8H,9-14H2,(H,24,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 70.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309057
(CHEMBL592472 | trans-1,2-bis(4-chlorophenyl)-5-(3,...)Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F |r| Show InChI InChI=1S/C24H21Cl2F2N/c25-19-5-3-18(4-6-19)24-12-2-17(13-16-1-11-22(27)23(28)14-16)15-29(24)21-9-7-20(26)8-10-21/h1,3-11,14,17,24H,2,12-13,15H2/t17-,24-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
GTP-binding nuclear protein GSP1/CNR1
(Saccharomyces cerevisiae) | BDBM87015
(1-(bis(4-chlorophenyl)methyl)-3-((3,5-difluorophen...)Show SMILES [#6]S(=O)(=O)[#6](=[#6]-1/[#6]-[#7](-[#6]-1)-[#6](-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)\c1cc(F)cc(F)c1 Show InChI InChI=1S/C24H19Cl2F2NO2S/c1-32(30,31)24(17-10-21(27)12-22(28)11-17)18-13-29(14-18)23(15-2-6-19(25)7-3-15)16-4-8-20(26)9-5-16/h2-12,23H,13-14H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309055
(CHEMBL589842 | trans-1-(4-chlorophenyl)-6-(2,4-dic...)Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1F |r| Show InChI InChI=1S/C24H18Cl3F2NO/c25-16-3-6-18(7-4-16)30-23(19-8-5-17(26)13-20(19)27)10-2-15(24(30)31)11-14-1-9-21(28)22(29)12-14/h1,3-9,12-13,15,23H,2,10-11H2/t15-,23-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309060
(CHEMBL600885 | N-(((3S,6S)-1-(4-chlorophenyl)-6-(2...)Show SMILES Clc1ccc(cc1)N1C[C@H](CNC(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C22H23Cl3N2O/c23-16-4-7-18(8-5-16)27-13-14(12-26-22(28)15-2-3-15)1-10-21(27)19-9-6-17(24)11-20(19)25/h4-9,11,14-15,21H,1-3,10,12-13H2,(H,26,28)/t14-,21-/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
| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309052
(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)...)Show SMILES NC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H19Cl3N2/c19-13-2-5-15(6-3-13)23-11-12(10-22)1-8-18(23)16-7-4-14(20)9-17(16)21/h2-7,9,12,18H,1,8,10-11,22H2/t12-,18-/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
| 133 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
GTP-binding nuclear protein GSP1/CNR1
(Saccharomyces cerevisiae) | BDBM87014
(4-(6-methoxy-2-(4-methoxyphenyl)benzofuran-3-carbo...)Show SMILES COc1ccc(cc1)-c1oc2cc(OC)ccc2c1C(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C24H17NO4/c1-27-18-9-7-17(8-10-18)24-22(20-12-11-19(28-2)13-21(20)29-24)23(26)16-5-3-15(14-25)4-6-16/h3-13H,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309051
(CHEMBL589169 | N-(((3R,6S)-1-(4-chlorophenyl)-6-(2...)Show SMILES Clc1ccc(cc1)N1C[C@H](CNS(=O)(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C21H23Cl3N2O2S/c22-15-2-5-17(6-3-15)26-13-14(12-25-29(27,28)18-7-8-18)1-10-21(26)19-9-4-16(23)11-20(19)24/h2-6,9,11,14,18,21,25H,1,7-8,10,12-13H2/t14-,21-/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
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM87013
((3R,4S)-3-(benzofuran-2-ylmethyl)-4-(4-methoxyphen...)Show SMILES COc1ccc(cc1)C1C(Cc2cc3ccccc3o2)C(=O)N1c1ccccc1 Show InChI InChI=1S/C25H21NO3/c1-28-20-13-11-17(12-14-20)24-22(25(27)26(24)19-8-3-2-4-9-19)16-21-15-18-7-5-6-10-23(18)29-21/h2-15,22,24H,16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 194 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM87020
((3R,4S)-4-(4-methoxyphenyl)-1-phenyl-3-(3-(pyridin...)Show SMILES COc1ccc(cc1)C1C(CCCc2cccnc2)C(=O)N1c1ccccc1 Show InChI InChI=1S/C24H24N2O2/c1-28-21-14-12-19(13-15-21)23-22(11-5-7-18-8-6-16-25-17-18)24(27)26(23)20-9-3-2-4-10-20/h2-4,6,8-10,12-17,22-23H,5,7,11H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 244 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM87017
(CAS_44450408 | NSC_44450408 | S-(R)-1-((2S,3R)-1-(...)Show SMILES CC(=O)SC(CCc1ccccc1)C1C(N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C26H24FNO3S/c1-17(29)32-23(16-7-18-5-3-2-4-6-18)24-25(19-8-14-22(30)15-9-19)28(26(24)31)21-12-10-20(27)11-13-21/h2-6,8-15,23-25,30H,7,16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| 282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM87018
((3S,4R)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3...)Show SMILES OC(CCC1C(N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 301 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309033
((3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dic...)Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C24H27Cl3N2O/c25-17-7-10-20(11-8-17)29-15-16(24(30)28-19-4-2-1-3-5-19)6-13-23(29)21-12-9-18(26)14-22(21)27/h7-12,14,16,19,23H,1-6,13,15H2,(H,28,30)/t16-,23+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 368 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50309029
((3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dic...)Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)S(=O)(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C23H27Cl3N2O2S/c24-16-6-9-19(10-7-16)28-15-20(31(29,30)27-18-4-2-1-3-5-18)11-13-23(28)21-12-8-17(25)14-22(21)26/h6-10,12,14,18,20,23,27H,1-5,11,13,15H2/t20-,23+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 368 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309059
(CHEMBL592470 | trans-1,6-bis(4-chlorophenyl)-3-(3,...)Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F |r| Show InChI InChI=1S/C24H19Cl2F2NO/c25-18-5-2-16(3-6-18)23-12-4-17(13-15-1-11-21(27)22(28)14-15)24(30)29(23)20-9-7-19(26)8-10-20/h1-3,5-11,14,17,23H,4,12-13H2/t17-,23-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 444 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50309037
(1-(4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorop...)Show SMILES CC(=O)N1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r| Show InChI InChI=1S/C24H28Cl3N3O/c1-17(31)29-12-10-28(11-13-29)15-18-2-9-24(22-8-5-20(26)14-23(22)27)30(16-18)21-6-3-19(25)4-7-21/h3-8,14,18,24H,2,9-13,15-16H2,1H3/t18-,24-/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
| 451 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 20: 1278-83 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM87016
(4-(4-methoxyphenyl)-1-phenyl-3-(2-(phenylsulfonyl)...)Show SMILES COc1ccc(cc1)C1C(CCS(=O)(=O)c2ccccc2)C(=O)N1c1ccccc1 Show InChI InChI=1S/C24H23NO4S/c1-29-20-14-12-18(13-15-20)23-22(24(26)25(23)19-8-4-2-5-9-19)16-17-30(27,28)21-10-6-3-7-11-21/h2-15,22-23H,16-17H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 452 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNS Biological Research
Curated by PDSP Ki Database
| |
J Med Chem 51: 2439-46 (2008)
Article DOI: 10.1021/jm701519h BindingDB Entry DOI: 10.7270/Q22R3Q7S |
More data for this Ligand-Target Pair | |