Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50030764 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
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301030
(CHEMBL567679 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(ccn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H26ClF3N4O/c1-17(34-25(36)26(2,3)35-24-15-21(11-12-33-24)27(29,30)31)23(14-18-7-9-22(28)10-8-18)20-6-4-5-19(13-20)16-32/h4-13,15,17,23H,14H2,1-3H3,(H,33,35)(H,34,36)/t17-,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
| 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
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301027
(CHEMBL582806 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H26ClF3N4O/c1-17(34-25(36)26(2,3)35-24-12-9-21(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,33,35)(H,34,36)/t17-,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
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301037
(2-(5-tert-butylisoxazol-3-ylamino)-N-((2S,3S)-4-(4...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(on1)C(C)(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C28H33ClN4O2/c1-18(31-26(34)28(5,6)32-25-16-24(35-33-25)27(2,3)4)23(15-19-10-12-22(29)13-11-19)21-9-7-8-20(14-21)17-30/h7-14,16,18,23H,15H2,1-6H3,(H,31,34)(H,32,33)/t18-,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
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301042
(CHEMBL572097 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc2ccccc2cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C30H29ClN4O/c1-20(27(16-21-11-13-26(31)14-12-21)24-10-6-7-22(15-24)18-32)34-29(36)30(2,3)35-28-17-23-8-4-5-9-25(23)19-33-28/h4-15,17,19-20,27H,16H2,1-3H3,(H,33,35)(H,34,36)/t20-,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
| n/a | n/a | 10.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301028
(CHEMBL569292 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ncc(Cl)cc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C26H25Cl3N4O/c1-16(32-25(34)26(2,3)33-24-23(29)13-21(28)15-31-24)22(12-17-7-9-20(27)10-8-17)19-6-4-5-18(11-19)14-30/h4-11,13,15-16,22H,12H2,1-3H3,(H,31,33)(H,32,34)/t16-,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 | 12.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301029
(2-(3-chloro-5-(trifluoromethyl)pyridin-2-ylamino)-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ncc(cc1Cl)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25Cl2F3N4O/c1-16(22(12-17-7-9-21(28)10-8-17)19-6-4-5-18(11-19)14-33)35-25(37)26(2,3)36-24-23(29)13-20(15-34-24)27(30,31)32/h4-11,13,15-16,22H,12H2,1-3H3,(H,34,36)(H,35,37)/t16-,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 | 17.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301036
(CHEMBL572271 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(C)on1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C25H27ClN4O2/c1-16-12-23(30-32-16)29-25(3,4)24(31)28-17(2)22(14-18-8-10-21(26)11-9-18)20-7-5-6-19(13-20)15-27/h5-13,17,22H,14H2,1-4H3,(H,28,31)(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
Similars
| Article
PubMed
| n/a | n/a | 19.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301031
(CHEMBL567876 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(C)ccn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H29ClN4O/c1-18-12-13-30-25(14-18)32-27(3,4)26(33)31-19(2)24(16-20-8-10-23(28)11-9-20)22-7-5-6-21(15-22)17-29/h5-15,19,24H,16H2,1-4H3,(H,30,32)(H,31,33)/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 | 37.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301034
(CHEMBL568849 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(C)no1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C25H27ClN4O2/c1-16-12-23(32-30-16)29-25(3,4)24(31)28-17(2)22(14-18-8-10-21(26)11-9-18)20-7-5-6-19(13-20)15-27/h5-13,17,22,29H,14H2,1-4H3,(H,28,31)/t17-,22+/m0/s1 | 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 | 46.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301035
(CHEMBL584309 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ccon1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C24H25ClN4O2/c1-16(27-23(30)24(2,3)28-22-11-12-31-29-22)21(14-17-7-9-20(25)10-8-17)19-6-4-5-18(13-19)15-26/h4-13,16,21H,14H2,1-3H3,(H,27,30)(H,28,29)/t16-,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
| n/a | n/a | 47.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301032
(CHEMBL568094 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ccccn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C26H27ClN4O/c1-18(30-25(32)26(2,3)31-24-9-4-5-14-29-24)23(16-19-10-12-22(27)13-11-19)21-8-6-7-20(15-21)17-28/h4-15,18,23H,16H2,1-3H3,(H,29,31)(H,30,32)/t18-,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
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301033
(CHEMBL567461 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ccncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C25H26ClN5O/c1-17(30-24(32)25(2,3)31-23-11-12-28-16-29-23)22(14-18-7-9-21(26)10-8-18)20-6-4-5-19(13-20)15-27/h4-13,16-17,22H,14H2,1-3H3,(H,30,32)(H,28,29,31)/t17-,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 | 49.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301041
(CHEMBL567513 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1nc2ccccc2n1C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C29H30ClN5O/c1-19(24(17-20-12-14-23(30)15-13-20)22-9-7-8-21(16-22)18-31)32-27(36)29(2,3)34-28-33-25-10-5-6-11-26(25)35(28)4/h5-16,19,24H,17H2,1-4H3,(H,32,36)(H,33,34)/t19-,24+/m0/s1 | 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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301042
(CHEMBL572097 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc2ccccc2cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C30H29ClN4O/c1-20(27(16-21-11-13-26(31)14-12-21)24-10-6-7-22(15-24)18-32)34-29(36)30(2,3)35-28-17-23-8-4-5-9-25(23)19-33-28/h4-15,17,19-20,27H,16H2,1-3H3,(H,33,35)(H,34,36)/t20-,27+/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 | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301044
(2-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)but...)Show SMILES C[C@H](NC(C)(C)C(=O)Nc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H26ClF3N4O/c1-17(35-26(2,3)25(36)34-24-12-9-21(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/h4-13,16-17,23,35H,14H2,1-3H3,(H,33,34,36)/t17-,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
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301045
(2-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)but...)Show SMILES C[C@H](NC(C)(C)C(=O)Nc1cc(on1)-c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C30H29ClN4O2/c1-20(26(17-21-12-14-25(31)15-13-21)24-11-7-8-22(16-24)19-32)34-30(2,3)29(36)33-28-18-27(37-35-28)23-9-5-4-6-10-23/h4-16,18,20,26,34H,17H2,1-3H3,(H,33,35,36)/t20-,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
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301038
(CHEMBL571831 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(on1)-c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C30H29ClN4O2/c1-20(26(17-21-12-14-25(31)15-13-21)24-11-7-8-22(16-24)19-32)33-29(36)30(2,3)34-28-18-27(37-35-28)23-9-5-4-6-10-23/h4-16,18,20,26H,17H2,1-3H3,(H,33,36)(H,34,35)/t20-,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
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301040
(CHEMBL567297 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ccnn1C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C25H28ClN5O/c1-17(29-24(32)25(2,3)30-23-12-13-28-31(23)4)22(15-18-8-10-21(26)11-9-18)20-7-5-6-19(14-20)16-27/h5-14,17,22,30H,15H2,1-4H3,(H,29,32)/t17-,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 | 203 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301038
(CHEMBL571831 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(on1)-c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C30H29ClN4O2/c1-20(26(17-21-12-14-25(31)15-13-21)24-11-7-8-22(16-24)19-32)33-29(36)30(2,3)34-28-18-27(37-35-28)23-9-5-4-6-10-23/h4-16,18,20,26H,17H2,1-3H3,(H,33,36)(H,34,35)/t20-,26+/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 | 234 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301037
(2-(5-tert-butylisoxazol-3-ylamino)-N-((2S,3S)-4-(4...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(on1)C(C)(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C28H33ClN4O2/c1-18(31-26(34)28(5,6)32-25-16-24(35-33-25)27(2,3)4)23(15-19-10-12-22(29)13-11-19)21-9-7-8-20(14-21)17-30/h7-14,16,18,23H,15H2,1-6H3,(H,31,34)(H,32,33)/t18-,23+/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 | 254 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301039
(CHEMBL584332 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(C)n[nH]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C25H28ClN5O/c1-16-12-23(31-30-16)29-25(3,4)24(32)28-17(2)22(14-18-8-10-21(26)11-9-18)20-7-5-6-19(13-20)15-27/h5-13,17,22H,14H2,1-4H3,(H,28,32)(H2,29,30,31)/t17-,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 | 301 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301027
(CHEMBL582806 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H26ClF3N4O/c1-17(34-25(36)26(2,3)35-24-12-9-21(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,33,35)(H,34,36)/t17-,23+/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 | 322 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301030
(CHEMBL567679 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(ccn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H26ClF3N4O/c1-17(34-25(36)26(2,3)35-24-15-21(11-12-33-24)27(29,30)31)23(14-18-7-9-22(28)10-8-18)20-6-4-5-19(13-20)16-32/h4-13,15,17,23H,14H2,1-3H3,(H,33,35)(H,34,36)/t17-,23+/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 | 353 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301029
(2-(3-chloro-5-(trifluoromethyl)pyridin-2-ylamino)-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ncc(cc1Cl)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25Cl2F3N4O/c1-16(22(12-17-7-9-21(28)10-8-17)19-6-4-5-18(11-19)14-33)35-25(37)26(2,3)36-24-23(29)13-20(15-34-24)27(30,31)32/h4-11,13,15-16,22H,12H2,1-3H3,(H,34,36)(H,35,37)/t16-,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 | 419 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301031
(CHEMBL567876 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(C)ccn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H29ClN4O/c1-18-12-13-30-25(14-18)32-27(3,4)26(33)31-19(2)24(16-20-8-10-23(28)11-9-20)22-7-5-6-21(15-22)17-29/h5-15,19,24H,16H2,1-4H3,(H,30,32)(H,31,33)/t19-,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 | 547 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301028
(CHEMBL569292 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ncc(Cl)cc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C26H25Cl3N4O/c1-16(32-25(34)26(2,3)33-24-23(29)13-21(28)15-31-24)22(12-17-7-9-20(27)10-8-17)19-6-4-5-18(11-19)14-30/h4-11,13,15-16,22H,12H2,1-3H3,(H,31,33)(H,32,34)/t16-,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 | 699 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301041
(CHEMBL567513 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1nc2ccccc2n1C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C29H30ClN5O/c1-19(24(17-20-12-14-23(30)15-13-20)22-9-7-8-21(16-22)18-31)32-27(36)29(2,3)34-28-33-25-10-5-6-11-26(25)35(28)4/h5-16,19,24H,17H2,1-4H3,(H,32,36)(H,33,34)/t19-,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301044
(2-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)but...)Show SMILES C[C@H](NC(C)(C)C(=O)Nc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H26ClF3N4O/c1-17(35-26(2,3)25(36)34-24-12-9-21(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/h4-13,16-17,23,35H,14H2,1-3H3,(H,33,34,36)/t17-,23+/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 | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301032
(CHEMBL568094 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ccccn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C26H27ClN4O/c1-18(30-25(32)26(2,3)31-24-9-4-5-14-29-24)23(16-19-10-12-22(27)13-11-19)21-8-6-7-20(15-21)17-28/h4-15,18,23H,16H2,1-3H3,(H,29,31)(H,30,32)/t18-,23+/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 | 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50301027
(CHEMBL582806 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H26ClF3N4O/c1-17(34-25(36)26(2,3)35-24-12-9-21(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,33,35)(H,34,36)/t17-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301045
(2-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)but...)Show SMILES C[C@H](NC(C)(C)C(=O)Nc1cc(on1)-c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C30H29ClN4O2/c1-20(26(17-21-12-14-25(31)15-13-21)24-11-7-8-22(16-24)19-32)34-30(2,3)29(36)33-28-18-27(37-35-28)23-9-5-4-6-10-23/h4-16,18,20,26,34H,17H2,1-3H3,(H,33,35,36)/t20-,26+/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 | 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301043
(CHEMBL569614 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)NCCCN(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C26H35ClN4O/c1-19(30-25(32)26(2,3)29-14-7-15-31(4)5)24(17-20-10-12-23(27)13-11-20)22-9-6-8-21(16-22)18-28/h6,8-13,16,19,24,29H,7,14-15,17H2,1-5H3,(H,30,32)/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 | 2.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301035
(CHEMBL584309 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ccon1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C24H25ClN4O2/c1-16(27-23(30)24(2,3)28-22-11-12-31-29-22)21(14-17-7-9-20(25)10-8-17)19-6-4-5-18(13-19)15-26/h4-13,16,21H,14H2,1-3H3,(H,27,30)(H,28,29)/t16-,21+/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 | 3.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301034
(CHEMBL568849 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(C)no1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C25H27ClN4O2/c1-16-12-23(32-30-16)29-25(3,4)24(31)28-17(2)22(14-18-8-10-21(26)11-9-18)20-7-5-6-19(13-20)15-27/h5-13,17,22,29H,14H2,1-4H3,(H,28,31)/t17-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301036
(CHEMBL572271 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(C)on1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C25H27ClN4O2/c1-16-12-23(30-32-16)29-25(3,4)24(31)28-17(2)22(14-18-8-10-21(26)11-9-18)20-7-5-6-19(13-20)15-27/h5-13,17,22H,14H2,1-4H3,(H,28,31)(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
Similars
| Article
PubMed
| n/a | n/a | 5.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301039
(CHEMBL584332 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(C)n[nH]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C25H28ClN5O/c1-16-12-23(31-30-16)29-25(3,4)24(32)28-17(2)22(14-18-8-10-21(26)11-9-18)20-7-5-6-19(13-20)15-27/h5-13,17,22H,14H2,1-4H3,(H,28,32)(H2,29,30,31)/t17-,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 | 6.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301040
(CHEMBL567297 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ccnn1C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C25H28ClN5O/c1-17(29-24(32)25(2,3)30-23-12-13-28-31(23)4)22(15-18-8-10-21(26)11-9-18)20-7-5-6-19(14-20)16-27/h5-14,17,22,30H,15H2,1-4H3,(H,29,32)/t17-,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 | 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301033
(CHEMBL567461 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ccncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C25H26ClN5O/c1-17(30-24(32)25(2,3)31-23-11-12-28-16-29-23)22(14-18-7-9-21(26)10-8-18)20-6-4-5-19(13-20)15-27/h4-13,16-17,22H,14H2,1-3H3,(H,30,32)(H,28,29,31)/t17-,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 | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301043
(CHEMBL569614 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)NCCCN(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C26H35ClN4O/c1-19(30-25(32)26(2,3)29-14-7-15-31(4)5)24(17-20-10-12-23(27)13-11-20)22-9-6-8-21(16-22)18-28/h6,8-13,16,19,24,29H,7,14-15,17H2,1-5H3,(H,30,32)/t19-,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 | 2.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50301044
(2-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)but...)Show SMILES C[C@H](NC(C)(C)C(=O)Nc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H26ClF3N4O/c1-17(35-26(2,3)25(36)34-24-12-9-21(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/h4-13,16-17,23,35H,14H2,1-3H3,(H,33,34,36)/t17-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301042
(CHEMBL572097 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc2ccccc2cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C30H29ClN4O/c1-20(27(16-21-11-13-26(31)14-12-21)24-10-6-7-22(15-24)18-32)34-29(36)30(2,3)35-28-17-23-8-4-5-9-25(23)19-33-28/h4-15,17,19-20,27H,16H2,1-3H3,(H,33,35)(H,34,36)/t20-,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
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human CB1 receptor assessed as forskolin-induced cAMP level by adenylyl cyclase activation flash plate assay |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301030
(CHEMBL567679 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(ccn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H26ClF3N4O/c1-17(34-25(36)26(2,3)35-24-15-21(11-12-33-24)27(29,30)31)23(14-18-7-9-22(28)10-8-18)20-6-4-5-19(13-20)16-32/h4-13,15,17,23H,14H2,1-3H3,(H,33,35)(H,34,36)/t17-,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
| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human CB1 receptor assessed as forskolin-induced cAMP level by adenylyl cyclase activation flash plate assay |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301027
(CHEMBL582806 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H26ClF3N4O/c1-17(34-25(36)26(2,3)35-24-12-9-21(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,33,35)(H,34,36)/t17-,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
| n/a | n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human CB1 receptor assessed as forskolin-induced cAMP level by adenylyl cyclase activation flash plate assay |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
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
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 | 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 CB1 receptor assessed as forskolin-induced cAMP level by adenylyl cyclase activation flash plate assay |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50301037
(2-(5-tert-butylisoxazol-3-ylamino)-N-((2S,3S)-4-(4...)Show SMILES C[C@H](NC(=O)C(C)(C)Nc1cc(on1)C(C)(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C28H33ClN4O2/c1-18(31-26(34)28(5,6)32-25-16-24(35-33-25)27(2,3)4)23(15-19-10-12-22(29)13-11-19)21-9-7-8-20(14-21)17-30/h7-14,16,18,23H,15H2,1-6H3,(H,31,34)(H,32,33)/t18-,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
| n/a | n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human CB1 receptor assessed as forskolin-induced cAMP level by adenylyl cyclase activation flash plate assay |
Bioorg Med Chem Lett 19: 5195-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.046
BindingDB Entry DOI: 10.7270/Q2028RMH |
More data for this
Ligand-Target Pair | |
Search and Browse
