Found 72 hits of Enzyme Inhibition Constant Data 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)) | BDBM50204183
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,5-d...)Show SMILES Fc1cc(F)cc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-10-17(28)9-18(29)11-19)31-23(21)20-6-5-16(26)8-22(20)27/h1-11H | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160100
(2-(3,4-difluorobenzyloxy)-5-(4-chlorophenyl)-6-(2,...)Show SMILES Fc1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C25H13Cl3F2N2O/c26-17-4-2-15(3-5-17)20-10-16(12-31)25(33-13-14-1-8-22(29)23(30)9-14)32-24(20)19-7-6-18(27)11-21(19)28/h1-11H,13H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204178
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)Show SMILES CC(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C27H19Cl3F2N2O2/c1-14(2)33-26(35)21-13-20(15-3-5-16(28)6-4-15)25(19-9-7-17(29)11-22(19)30)34-27(21)36-18-8-10-23(31)24(32)12-18/h3-14H,1-2H3,(H,33,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204174
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)Show SMILES Fc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)19-9-14(12-30)24(32-17-6-8-21(28)22(29)11-17)31-23(19)18-7-5-16(26)10-20(18)27/h1-11H | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204180
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-(3,5-di...)Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H20Cl2F2N4O2S/c29-20-7-5-18(6-8-20)25-13-19(17-33)28(34-27(25)24-3-1-2-4-26(24)30)35-9-11-36(12-10-35)39(37,38)23-15-21(31)14-22(32)16-23/h1-8,13-16H,9-12H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204179
(5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(Oc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H11Cl5N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-9-17(27)8-18(28)10-19)31-23(21)20-6-5-16(26)11-22(20)29/h1-11H | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204185
(2-(3-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dich...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(Oc2cccc(Cl)c2)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H12Cl4N2O/c25-16-6-4-14(5-7-16)21-10-15(13-29)24(31-19-3-1-2-17(26)11-19)30-23(21)20-9-8-18(27)12-22(20)28/h1-12H | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204194
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)Show SMILES CN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H18Cl3F2N3O2/c1-34(2)33-25(35)20-13-19(14-3-5-15(27)6-4-14)24(18-9-7-16(28)11-21(18)29)32-26(20)36-17-8-10-22(30)23(31)12-17/h3-13H,1-2H3,(H,33,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204187
(2-(1H-benzo[d][1,2,3]triazol-1-yl)-5-(4-chlorophen...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccc(Cl)cc1Cl)-n1nnc2ccccc12 Show InChI InChI=1S/C24H12Cl3N5/c25-16-7-5-14(6-8-16)19-11-15(13-28)24(32-22-4-2-1-3-21(22)30-31-32)29-23(19)18-10-9-17(26)12-20(18)27/h1-12H | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204176
(CHEMBL247910 | N-(2-(5-(4-chlorophenyl)-3-cyano-6-...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCCNC(=O)C2CCC2)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H20Cl3N3O2/c26-18-6-4-15(5-7-18)21-12-17(14-29)25(33-11-10-30-24(32)16-2-1-3-16)31-23(21)20-9-8-19(27)13-22(20)28/h4-9,12-13,16H,1-3,10-11H2,(H,30,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204173
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,3-dimet...)Show SMILES CC(C)(C)C#Cc1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H18Cl2N2/c1-24(2,3)13-12-22-17(15-27)14-20(16-8-10-18(25)11-9-16)23(28-22)19-6-4-5-7-21(19)26/h4-11,14H,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204197
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-((tetr...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCC2CCOC2)nc1-c1ccc(Cl)cc1Cl |w:15.15| Show InChI InChI=1S/C23H17Cl3N2O2/c24-17-3-1-15(2-4-17)20-9-16(11-27)23(30-13-14-7-8-29-12-14)28-22(20)19-6-5-18(25)10-21(19)26/h1-6,9-10,14H,7-8,12-13H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204195
(2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dich...)Show SMILES Clc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C24H12Cl4N2O/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-5-17(26)6-9-19)30-23(21)20-10-7-18(27)12-22(20)28/h1-12H | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50160138
(2-(3,4-difluorobenzyloxy)-6-(2-chlorophenyl)-5-(4-...)Show SMILES Fc1ccc(COc2nc(-c3ccccc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C25H14Cl2F2N2O/c26-18-8-6-16(7-9-18)20-12-17(13-30)25(31-24(20)19-3-1-2-4-21(19)27)32-14-15-5-10-22(28)23(29)11-15/h1-12H,14H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204175
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-isopro...)Show SMILES CC(C)Oc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H15Cl3N2O/c1-12(2)27-21-14(11-25)9-18(13-3-5-15(22)6-4-13)20(26-21)17-8-7-16(23)10-19(17)24/h3-10,12H,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204172
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)Show SMILES NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H13Cl3F2N2O2/c25-13-3-1-12(2-4-13)17-11-18(23(30)32)24(33-15-6-8-20(28)21(29)10-15)31-22(17)16-7-5-14(26)9-19(16)27/h1-11H,(H2,30,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204170
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(tetra...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OC2CCOC2)nc1-c1ccc(Cl)cc1Cl |w:14.14| Show InChI InChI=1S/C22H15Cl3N2O2/c23-15-3-1-13(2-4-15)19-9-14(11-26)22(29-17-7-8-28-12-17)27-21(19)18-6-5-16(24)10-20(18)25/h1-6,9-10,17H,7-8,12H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204184
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3-flu...)Show SMILES Fc1cccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H12Cl3FN2O/c25-16-6-4-14(5-7-16)21-10-15(13-29)24(31-19-3-1-2-18(28)12-19)30-23(21)20-9-8-17(26)11-22(20)27/h1-12H | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204171
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-isoprop...)Show SMILES CC(C)N1CCN(C(=O)C1=O)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N4O2/c1-15(2)30-11-12-31(25(33)24(30)32)23-17(14-28)13-20(16-7-9-18(26)10-8-16)22(29-23)19-5-3-4-6-21(19)27/h3-10,13,15H,11-12H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204169
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(1H-im...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccc(Cl)cc1Cl)-n1ccnc1 Show InChI InChI=1S/C21H11Cl3N4/c22-15-3-1-13(2-4-15)18-9-14(11-25)21(28-8-7-26-12-28)27-20(18)17-6-5-16(23)10-19(17)24/h1-10,12H | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204188
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)Show SMILES Fc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C24H12Cl3FN2O/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-6-18(28)7-9-19)30-23(21)20-10-5-17(26)12-22(20)27/h1-12H | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204181
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(piper...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccc(Cl)cc1Cl)N1CCCCC1 Show InChI InChI=1S/C23H18Cl3N3/c24-17-6-4-15(5-7-17)20-12-16(14-27)23(29-10-2-1-3-11-29)28-22(20)19-9-8-18(25)13-21(19)26/h4-9,12-13H,1-3,10-11H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204200
(CHEMBL428579 | N-(5-(4-chlorophenyl)-3-cyano-6-(2,...)Show SMILES Fc1ccc(cc1F)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H12Cl3F2N3O/c26-16-4-1-13(2-5-16)19-9-15(12-31)24(32-23(19)18-7-6-17(27)11-20(18)28)33-25(34)14-3-8-21(29)22(30)10-14/h1-11H,(H,32,33,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204202
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,4-diflu...)Show SMILES Fc1ccc(Oc2nc(-c3ccccc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C24H12Cl2F2N2O/c25-16-7-5-14(6-8-16)19-11-15(13-29)24(31-17-9-10-21(27)22(28)12-17)30-23(19)18-3-1-2-4-20(18)26/h1-12H | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204199
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-met...)Show SMILES COc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C25H15Cl3N2O2/c1-31-19-7-9-20(10-8-19)32-25-16(14-29)12-22(15-2-4-17(26)5-3-15)24(30-25)21-11-6-18(27)13-23(21)28/h2-13H,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204186
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(pyridin-3...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccccc1Cl)-c1cccnc1 Show InChI InChI=1S/C23H13Cl2N3/c24-18-9-7-15(8-10-18)20-12-17(13-26)22(16-4-3-11-27-14-16)28-23(20)19-5-1-2-6-21(19)25/h1-12,14H | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204189
(CHEMBL247706 | N-(5-(4-chlorophenyl)-3-cyano-6-(2,...)Show SMILES CC(C)(C)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H18Cl3N3O/c1-23(2,3)22(30)29-21-14(12-27)10-18(13-4-6-15(24)7-5-13)20(28-21)17-9-8-16(25)11-19(17)26/h4-11H,1-3H3,(H,28,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204193
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-pivaloy...)Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H26Cl2N4O/c1-27(2,3)26(34)33-14-12-32(13-15-33)25-19(17-30)16-22(18-8-10-20(28)11-9-18)24(31-25)21-6-4-5-7-23(21)29/h4-11,16H,12-15H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204203
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(pyrimidin...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccccc1Cl)-c1cncnc1 Show InChI InChI=1S/C22H12Cl2N4/c23-17-7-5-14(6-8-17)19-9-15(10-25)21(16-11-26-13-27-12-16)28-22(19)18-3-1-2-4-20(18)24/h1-9,11-13H | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204177
(2-(3-amino-3-ethylpent-1-ynyl)-6-(2-chlorophenyl)-...)Show SMILES CCC(N)(CC)C#Cc1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H21Cl2N3/c1-3-25(29,4-2)14-13-23-18(16-28)15-21(17-9-11-19(26)12-10-17)24(30-23)20-7-5-6-8-22(20)27/h5-12,15H,3-4,29H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204191
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3-hydroxy...)Show SMILES CC(C)(O)C#Cc1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H16Cl2N2O/c1-23(2,28)12-11-21-16(14-26)13-19(15-7-9-17(24)10-8-15)22(27-21)18-5-3-4-6-20(18)25/h3-10,13,28H,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204192
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)Show SMILES Fc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C24H13Cl3FN3/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(30-19-8-6-18(28)7-9-19)31-23(21)20-10-5-17(26)12-22(20)27/h1-12H,(H,30,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204182
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)Show SMILES CNN(C)C(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H18Cl3F2N3O2/c1-32-34(2)26(35)20-13-19(14-3-5-15(27)6-4-14)24(18-9-7-16(28)11-21(18)29)33-25(20)36-17-8-10-22(30)23(31)12-17/h3-13,32H,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204190
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(isobu...)Show SMILES CC(C)CNc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18Cl3N3/c1-13(2)12-27-22-15(11-26)9-19(14-3-5-16(23)6-4-14)21(28-22)18-8-7-17(24)10-20(18)25/h3-10,13H,12H2,1-2H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204196
(2-(4-tert-butylpiperazin-1-yl)-6-(2-chlorophenyl)-...)Show SMILES CC(C)(C)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26Cl2N4/c1-26(2,3)32-14-12-31(13-15-32)25-19(17-29)16-22(18-8-10-20(27)11-9-18)24(30-25)21-6-4-5-7-23(21)28/h4-11,16H,12-15H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204198
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)Show SMILES Fc1ccc(Sc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C24H12Cl3FN2S/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-6-18(28)7-9-19)30-23(21)20-10-5-17(26)12-22(20)27/h1-12H | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50204201
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(1-methyl-...)Show SMILES Cn1cc(cn1)-c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14Cl2N4/c1-28-13-16(12-26-28)21-15(11-25)10-19(14-6-8-17(23)9-7-14)22(27-21)18-4-2-3-5-20(18)24/h2-10,12-13H,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB1 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204169
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(1H-im...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccc(Cl)cc1Cl)-n1ccnc1 Show InChI InChI=1S/C21H11Cl3N4/c22-15-3-1-13(2-4-15)18-9-14(11-25)21(28-8-7-26-12-28)27-20(18)17-6-5-16(23)10-19(17)24/h1-10,12H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204200
(CHEMBL428579 | N-(5-(4-chlorophenyl)-3-cyano-6-(2,...)Show SMILES Fc1ccc(cc1F)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H12Cl3F2N3O/c26-16-4-1-13(2-5-16)19-9-15(12-31)24(32-23(19)18-7-6-17(27)11-20(18)28)33-25(34)14-3-8-21(29)22(30)10-14/h1-11H,(H,32,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 315 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204183
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,5-d...)Show SMILES Fc1cc(F)cc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-10-17(28)9-18(29)11-19)31-23(21)20-6-5-16(26)8-22(20)27/h1-11H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204197
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-((tetr...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCC2CCOC2)nc1-c1ccc(Cl)cc1Cl |w:15.15| Show InChI InChI=1S/C23H17Cl3N2O2/c24-17-3-1-15(2-4-17)20-9-16(11-27)23(30-13-14-7-8-29-12-14)28-22(20)19-6-5-18(25)10-21(19)26/h1-6,9-10,14H,7-8,12-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204176
(CHEMBL247910 | N-(2-(5-(4-chlorophenyl)-3-cyano-6-...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCCNC(=O)C2CCC2)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C25H20Cl3N3O2/c26-18-6-4-15(5-7-18)21-12-17(14-29)25(33-11-10-30-24(32)16-2-1-3-16)31-23(21)20-9-8-19(27)13-22(20)28/h4-9,12-13,16H,1-3,10-11H2,(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204187
(2-(1H-benzo[d][1,2,3]triazol-1-yl)-5-(4-chlorophen...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccc(Cl)cc1Cl)-n1nnc2ccccc12 Show InChI InChI=1S/C24H12Cl3N5/c25-16-7-5-14(6-8-16)19-11-15(13-28)24(32-22-4-2-1-3-21(22)30-31-32)29-23(19)18-10-9-17(26)12-20(18)27/h1-12H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 465 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204182
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)Show SMILES CNN(C)C(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H18Cl3F2N3O2/c1-32-34(2)26(35)20-13-19(14-3-5-15(27)6-4-14)24(18-9-7-16(28)11-21(18)29)33-25(20)36-17-8-10-22(30)23(31)12-17/h3-13,32H,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204171
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-isoprop...)Show SMILES CC(C)N1CCN(C(=O)C1=O)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N4O2/c1-15(2)30-11-12-31(25(33)24(30)32)23-17(14-28)13-20(16-7-9-18(26)10-8-16)22(29-23)19-5-3-4-6-21(19)27/h3-10,13,15H,11-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 715 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204170
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(tetra...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OC2CCOC2)nc1-c1ccc(Cl)cc1Cl |w:14.14| Show InChI InChI=1S/C22H15Cl3N2O2/c23-15-3-1-13(2-4-15)19-9-14(11-26)22(29-17-7-8-28-12-17)27-21(19)18-6-5-16(24)10-20(18)25/h1-6,9-10,17H,7-8,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204175
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-isopro...)Show SMILES CC(C)Oc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H15Cl3N2O/c1-12(2)27-21-14(11-25)9-18(13-3-5-15(22)6-4-13)20(26-21)17-8-7-16(23)10-19(17)24/h3-10,12H,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204177
(2-(3-amino-3-ethylpent-1-ynyl)-6-(2-chlorophenyl)-...)Show SMILES CCC(N)(CC)C#Cc1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H21Cl2N3/c1-3-25(29,4-2)14-13-23-18(16-28)15-21(17-9-11-19(26)12-10-17)24(30-23)20-7-5-6-8-22(20)27/h5-12,15H,3-4,29H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204193
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-pivaloy...)Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H26Cl2N4O/c1-27(2,3)26(34)33-14-12-32(13-15-33)25-19(17-30)16-22(18-8-10-20(28)11-9-18)24(31-25)21-6-4-5-7-23(21)29/h4-11,16H,12-15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204180
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-(3,5-di...)Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H20Cl2F2N4O2S/c29-20-7-5-18(6-8-20)25-13-19(17-33)28(34-27(25)24-3-1-2-4-26(24)30)35-9-11-36(12-10-35)39(37,38)23-15-21(31)14-22(32)16-23/h1-8,13-16H,9-12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204178
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)Show SMILES CC(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C27H19Cl3F2N2O2/c1-14(2)33-26(35)21-13-20(15-3-5-16(28)6-4-15)25(19-9-7-17(29)11-22(19)30)34-27(21)36-18-8-10-23(31)24(32)12-18/h3-14H,1-2H3,(H,33,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204189
(CHEMBL247706 | N-(5-(4-chlorophenyl)-3-cyano-6-(2,...)Show SMILES CC(C)(C)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H18Cl3N3O/c1-23(2,3)22(30)29-21-14(12-27)10-18(13-4-6-15(24)7-5-13)20(28-21)17-9-8-16(25)11-19(17)26/h4-11H,1-3H3,(H,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204191
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3-hydroxy...)Show SMILES CC(C)(O)C#Cc1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H16Cl2N2O/c1-23(2,28)12-11-21-16(14-26)13-19(15-7-9-17(24)10-8-15)22(27-21)18-5-3-4-6-20(18)25/h3-10,13,28H,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204194
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)Show SMILES CN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H18Cl3F2N3O2/c1-34(2)33-25(35)20-13-19(14-3-5-15(27)6-4-14)24(18-9-7-16(28)11-21(18)29)32-26(20)36-17-8-10-22(30)23(31)12-17/h3-13H,1-2H3,(H,33,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204190
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(isobu...)Show SMILES CC(C)CNc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18Cl3N3/c1-13(2)12-27-22-15(11-26)9-19(14-3-5-16(23)6-4-14)21(28-22)18-8-7-17(24)10-20(18)25/h3-10,13H,12H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204173
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,3-dimet...)Show SMILES CC(C)(C)C#Cc1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H18Cl2N2/c1-24(2,3)13-12-22-17(15-27)14-20(16-8-10-18(25)11-9-16)23(28-22)19-6-4-5-7-21(19)26/h4-11,14H,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204184
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3-flu...)Show SMILES Fc1cccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H12Cl3FN2O/c25-16-6-4-14(5-7-16)21-10-15(13-29)24(31-19-3-1-2-18(28)12-19)30-23(21)20-9-8-17(26)11-22(20)27/h1-12H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204196
(2-(4-tert-butylpiperazin-1-yl)-6-(2-chlorophenyl)-...)Show SMILES CC(C)(C)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26Cl2N4/c1-26(2,3)32-14-12-31(13-15-32)25-19(17-29)16-22(18-8-10-20(27)11-9-18)24(30-25)21-6-4-5-7-23(21)28/h4-11,16H,12-15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204192
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)Show SMILES Fc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C24H13Cl3FN3/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(30-19-8-6-18(28)7-9-19)31-23(21)20-10-5-17(26)12-22(20)27/h1-12H,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204201
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(1-methyl-...)Show SMILES Cn1cc(cn1)-c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14Cl2N4/c1-28-13-16(12-26-28)21-15(11-25)10-19(14-6-8-17(23)9-7-14)22(27-21)18-4-2-3-5-20(18)24/h2-10,12-13H,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204186
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(pyridin-3...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccccc1Cl)-c1cccnc1 Show InChI InChI=1S/C23H13Cl2N3/c24-18-9-7-15(8-10-18)20-12-17(13-26)22(16-4-3-11-27-14-16)28-23(20)19-5-1-2-6-21(19)25/h1-12,14H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204199
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-met...)Show SMILES COc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C25H15Cl3N2O2/c1-31-19-7-9-20(10-8-19)32-25-16(14-29)12-22(15-2-4-17(26)5-3-15)24(30-25)21-11-6-18(27)13-23(21)28/h2-13H,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204181
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(piper...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccc(Cl)cc1Cl)N1CCCCC1 Show InChI InChI=1S/C23H18Cl3N3/c24-17-6-4-15(5-7-17)20-12-16(14-27)23(29-10-2-1-3-11-29)28-22(20)19-9-8-18(25)13-21(19)26/h4-9,12-13H,1-3,10-11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204185
(2-(3-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dich...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(Oc2cccc(Cl)c2)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H12Cl4N2O/c25-16-6-4-14(5-7-16)21-10-15(13-29)24(31-19-3-1-2-17(26)11-19)30-23(21)20-9-8-18(27)12-22(20)28/h1-12H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204174
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)Show SMILES Fc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)19-9-14(12-30)24(32-17-6-8-21(28)22(29)11-17)31-23(19)18-7-5-16(26)10-20(18)27/h1-11H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204195
(2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dich...)Show SMILES Clc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C24H12Cl4N2O/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-5-17(26)6-9-19)30-23(21)20-10-7-18(27)12-22(20)28/h1-12H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204203
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(pyrimidin...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccccc1Cl)-c1cncnc1 Show InChI InChI=1S/C22H12Cl2N4/c23-17-7-5-14(6-8-17)19-9-15(10-25)21(16-11-26-13-27-12-16)28-22(19)18-3-1-2-4-20(18)24/h1-9,11-13H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204188
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)Show SMILES Fc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C24H12Cl3FN2O/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-6-18(28)7-9-19)30-23(21)20-10-5-17(26)12-22(20)27/h1-12H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204172
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)Show SMILES NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H13Cl3F2N2O2/c25-13-3-1-12(2-4-13)17-11-18(23(30)32)24(33-15-6-8-20(28)21(29)10-15)31-22(17)16-7-5-14(26)9-19(16)27/h1-11H,(H2,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204198
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)Show SMILES Fc1ccc(Sc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C24H12Cl3FN2S/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-6-18(28)7-9-19)30-23(21)20-10-5-17(26)12-22(20)27/h1-12H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204179
(5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-...)Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(Oc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H11Cl5N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-9-17(27)8-18(28)10-19)31-23(21)20-6-5-16(26)11-22(20)29/h1-11H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50204202
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,4-diflu...)Show SMILES Fc1ccc(Oc2nc(-c3ccccc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C24H12Cl2F2N2O/c25-16-7-5-14(6-8-16)19-11-15(13-29)24(31-17-9-10-21(27)22(28)12-17)30-23(19)18-3-1-2-4-20(18)26/h1-12H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at CB2 receptor |
Bioorg Med Chem Lett 17: 2031-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ |
More data for this
Ligand-Target Pair | |
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