Found 27 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)) | BDBM50200841
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200833
(CHEMBL373626 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF3N2O2/c1-17(22(19-7-5-4-6-8-19)15-18-9-12-21(27)13-10-18)32-24(33)25(2,3)34-23-14-11-20(16-31-23)26(28,29)30/h4-14,16-17,22H,15H2,1-3H3,(H,32,33)/t17-,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
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200844
(CHEMBL219480 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cc(F)cc(F)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF2NO2/c1-17(30-25(31)26(2,3)32-23-15-21(28)14-22(29)16-23)24(19-7-5-4-6-8-19)13-18-9-11-20(27)12-10-18/h4-12,14-17,24H,13H2,1-3H3,(H,30,31)/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
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200836
(CHEMBL387027 | N-[(1S,2S)-3-(4-chlorophenyl)-1-met...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H26Cl2N2O2/c1-17(29-24(30)25(2,3)31-23-14-13-21(27)16-28-23)22(19-7-5-4-6-8-19)15-18-9-11-20(26)12-10-18/h4-14,16-17,22H,15H2,1-3H3,(H,29,30)/t17-,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
| 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
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200830
(CHEMBL385033 | N-[(1S,2S)-3-(4-chlorophenyl)-1-met...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H27Cl2NO2/c1-18(29-25(30)26(2,3)31-23-11-7-10-22(28)17-23)24(20-8-5-4-6-9-20)16-19-12-14-21(27)15-13-19/h4-15,17-18,24H,16H2,1-3H3,(H,29,30)/t18-,24+/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
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200839
(CHEMBL385767 | N-[(1S,2S)-3-(4-chlorophenyl)-1-met...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cccc(F)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClFNO2/c1-18(29-25(30)26(2,3)31-23-11-7-10-22(28)17-23)24(20-8-5-4-6-9-20)16-19-12-14-21(27)15-13-19/h4-15,17-18,24H,16H2,1-3H3,(H,29,30)/t18-,24+/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
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200831
(CHEMBL374791 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccccn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27ClN2O2/c1-18(28-24(29)25(2,3)30-23-11-7-8-16-27-23)22(20-9-5-4-6-10-20)17-19-12-14-21(26)15-13-19/h4-16,18,22H,17H2,1-3H3,(H,28,29)/t18-,22+/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
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200838
(CHEMBL217862 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClNO2/c1-19(28-25(29)26(2,3)30-23-12-8-5-9-13-23)24(21-10-6-4-7-11-21)18-20-14-16-22(27)17-15-20/h4-17,19,24H,18H2,1-3H3,(H,28,29)/t19-,24+/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
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200835
(CHEMBL219188 | N-[3-(4-chlorophenyl)-1-methyl-2-ph...)Show SMILES CC(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(Cc1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C26H27Cl2NO2/c1-18(29-25(30)26(2,3)31-23-15-13-22(28)14-16-23)24(20-7-5-4-6-8-20)17-19-9-11-21(27)12-10-19/h4-16,18,24H,17H2,1-3H3,(H,29,30) | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200828
(CHEMBL218649 | N-[(1R,2R)-3-(4-chlorophenyl)-1-met...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H27Cl2NO2/c1-18(29-25(30)26(2,3)31-23-15-13-22(28)14-16-23)24(20-7-5-4-6-8-20)17-19-9-11-21(27)12-10-19/h4-16,18,24H,17H2,1-3H3,(H,29,30)/t18-,24+/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
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
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
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200842
(CHEMBL374291 | N-[2,3-bis(4-chlorophenyl)-1-methyl...)Show SMILES CC(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26Cl3NO2/c1-17(30-25(31)26(2,3)32-23-14-12-22(29)13-15-23)24(19-6-10-21(28)11-7-19)16-18-4-8-20(27)9-5-18/h4-15,17,24H,16H2,1-3H3,(H,30,31) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200837
((1R,2R)-N-[2,3-bis(4-chlorophenyl)-1-methylpropyl]...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H26Cl3NO2/c1-17(30-25(31)26(2,3)32-23-14-12-22(29)13-15-23)24(19-6-10-21(28)11-7-19)16-18-4-8-20(27)9-5-18/h4-15,17,24H,16H2,1-3H3,(H,30,31)/t17-,24+/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
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200831
(CHEMBL374791 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccccn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27ClN2O2/c1-18(28-24(29)25(2,3)30-23-11-7-8-16-27-23)22(20-9-5-4-6-10-20)17-19-12-14-21(26)15-13-19/h4-16,18,22H,17H2,1-3H3,(H,28,29)/t18-,22+/m0/s1 | 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 | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200836
(CHEMBL387027 | N-[(1S,2S)-3-(4-chlorophenyl)-1-met...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H26Cl2N2O2/c1-17(29-24(30)25(2,3)31-23-14-13-21(27)16-28-23)22(19-7-5-4-6-8-19)15-18-9-11-20(26)12-10-18/h4-14,16-17,22H,15H2,1-3H3,(H,29,30)/t17-,22+/m0/s1 | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200833
(CHEMBL373626 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF3N2O2/c1-17(22(19-7-5-4-6-8-19)15-18-9-12-21(27)13-10-18)32-24(33)25(2,3)34-23-14-11-20(16-31-23)26(28,29)30/h4-14,16-17,22H,15H2,1-3H3,(H,32,33)/t17-,22+/m0/s1 | 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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200830
(CHEMBL385033 | N-[(1S,2S)-3-(4-chlorophenyl)-1-met...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H27Cl2NO2/c1-18(29-25(30)26(2,3)31-23-11-7-10-22(28)17-23)24(20-8-5-4-6-9-20)16-19-12-14-21(27)15-13-19/h4-15,17-18,24H,16H2,1-3H3,(H,29,30)/t18-,24+/m0/s1 | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200844
(CHEMBL219480 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cc(F)cc(F)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF2NO2/c1-17(30-25(31)26(2,3)32-23-15-21(28)14-22(29)16-23)24(19-7-5-4-6-8-19)13-18-9-11-20(27)12-10-18/h4-12,14-17,24H,13H2,1-3H3,(H,30,31)/t17-,24+/m0/s1 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200841
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1 | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200839
(CHEMBL385767 | N-[(1S,2S)-3-(4-chlorophenyl)-1-met...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cccc(F)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClFNO2/c1-18(29-25(30)26(2,3)31-23-11-7-10-22(28)17-23)24(20-8-5-4-6-9-20)16-19-12-14-21(27)15-13-19/h4-15,17-18,24H,16H2,1-3H3,(H,29,30)/t18-,24+/m0/s1 | PDB
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PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200838
(CHEMBL217862 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClNO2/c1-19(28-25(29)26(2,3)30-23-12-8-5-9-13-23)24(21-10-6-4-7-11-21)18-20-14-16-22(27)17-15-20/h4-17,19,24H,18H2,1-3H3,(H,28,29)/t19-,24+/m0/s1 | PDB
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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
Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200835
(CHEMBL219188 | N-[3-(4-chlorophenyl)-1-methyl-2-ph...)Show SMILES CC(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(Cc1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C26H27Cl2NO2/c1-18(29-25(30)26(2,3)31-23-15-13-22(28)14-16-23)24(20-7-5-4-6-8-20)17-19-9-11-21(27)12-10-19/h4-16,18,24H,17H2,1-3H3,(H,29,30) | PDB
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| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200828
(CHEMBL218649 | N-[(1R,2R)-3-(4-chlorophenyl)-1-met...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H27Cl2NO2/c1-18(29-25(30)26(2,3)31-23-15-13-22(28)14-16-23)24(20-7-5-4-6-8-20)17-19-9-11-21(27)12-10-19/h4-16,18,24H,17H2,1-3H3,(H,29,30)/t18-,24+/m0/s1 | PDB
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| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200842
(CHEMBL374291 | N-[2,3-bis(4-chlorophenyl)-1-methyl...)Show SMILES CC(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26Cl3NO2/c1-17(30-25(31)26(2,3)32-23-14-12-22(29)13-15-23)24(19-6-10-21(28)11-7-19)16-18-4-8-20(27)9-5-18/h4-15,17,24H,16H2,1-3H3,(H,30,31) | PDB
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| 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
Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200837
((1R,2R)-N-[2,3-bis(4-chlorophenyl)-1-methylpropyl]...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H26Cl3NO2/c1-17(30-25(31)26(2,3)32-23-14-12-22(29)13-15-23)24(19-6-10-21(28)11-7-19)16-18-4-8-20(27)9-5-18/h4-15,17,24H,16H2,1-3H3,(H,30,31)/t17-,24+/m0/s1 | PDB
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| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200841
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1 | PDB
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Article
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| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human recombinant CB1 receptor assessed as inhibition of forskolin-induced cAMP production in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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