Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50039600 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)) | BDBM50380719
(CHEMBL1682275)Show SMILES OCCNC(=O)C1CCN(Cc2nc(no2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1 Show InChI InChI=1S/C25H32ClN5O4/c26-21-3-1-2-19-20(15-31(23(19)21)14-17-6-12-34-13-7-17)24-28-22(35-29-24)16-30-9-4-18(5-10-30)25(33)27-8-11-32/h1-3,15,17-18,32H,4-14,16H2,(H,27,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP 55,940 from human CB1 receptor expressed in insect sf9 membranes |
Bioorg Med Chem Lett 22: 2932-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50380717
(CHEMBL2017678)Show SMILES COc1cccc2c(cn(CC3CCOCC3)c12)-c1nsc(CN2CCN(CC(N)=O)CC2)n1 Show InChI InChI=1S/C24H32N6O3S/c1-32-20-4-2-3-18-19(14-30(23(18)20)13-17-5-11-33-12-6-17)24-26-22(34-27-24)16-29-9-7-28(8-10-29)15-21(25)31/h2-4,14,17H,5-13,15-16H2,1H3,(H2,25,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP 55,940 from human CB1 receptor expressed in insect sf9 membranes |
Bioorg Med Chem Lett 22: 2932-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50380717
(CHEMBL2017678)Show SMILES COc1cccc2c(cn(CC3CCOCC3)c12)-c1nsc(CN2CCN(CC(N)=O)CC2)n1 Show InChI InChI=1S/C24H32N6O3S/c1-32-20-4-2-3-18-19(14-30(23(18)20)13-17-5-11-33-12-6-17)24-26-22(34-27-24)16-29-9-7-28(8-10-29)15-21(25)31/h2-4,14,17H,5-13,15-16H2,1H3,(H2,25,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP 55,940 from human CB2 receptor expressed in insect sf9 membranes |
Bioorg Med Chem Lett 22: 2932-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50380718
(CHEMBL2017684)Show SMILES NC(=O)CN1CCN(Cc2nc(no2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1 Show InChI InChI=1S/C23H29ClN6O3/c24-19-3-1-2-17-18(13-30(22(17)19)12-16-4-10-32-11-5-16)23-26-21(33-27-23)15-29-8-6-28(7-9-29)14-20(25)31/h1-3,13,16H,4-12,14-15H2,(H2,25,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP 55,940 from human CB1 receptor expressed in insect sf9 membranes |
Bioorg Med Chem Lett 22: 2932-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50380720
(CHEMBL2017682)Show SMILES OCCNC(=O)[C@H]1CCCN(Cc2nc(ns2)-c2cn(CC3CCS(=O)(=O)CC3)c3c(Cl)cccc23)C1 |r| Show InChI InChI=1S/C25H32ClN5O4S2/c26-21-5-1-4-19-20(15-31(23(19)21)13-17-6-11-37(34,35)12-7-17)24-28-22(36-29-24)16-30-9-2-3-18(14-30)25(33)27-8-10-32/h1,4-5,15,17-18,32H,2-3,6-14,16H2,(H,27,33)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP 55,940 from human CB2 receptor expressed in insect sf9 membranes |
Bioorg Med Chem Lett 22: 2932-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50380719
(CHEMBL1682275)Show SMILES OCCNC(=O)C1CCN(Cc2nc(no2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1 Show InChI InChI=1S/C25H32ClN5O4/c26-21-3-1-2-19-20(15-31(23(19)21)14-17-6-12-34-13-7-17)24-28-22(35-29-24)16-30-9-4-18(5-10-30)25(33)27-8-11-32/h1-3,15,17-18,32H,4-14,16H2,(H,27,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP 55,940 from human CB2 receptor expressed in insect sf9 membranes |
Bioorg Med Chem Lett 22: 2932-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50380720
(CHEMBL2017682)Show SMILES OCCNC(=O)[C@H]1CCCN(Cc2nc(ns2)-c2cn(CC3CCS(=O)(=O)CC3)c3c(Cl)cccc23)C1 |r| Show InChI InChI=1S/C25H32ClN5O4S2/c26-21-5-1-4-19-20(15-31(23(19)21)13-17-6-11-37(34,35)12-7-17)24-28-22(36-29-24)16-30-9-2-3-18(14-30)25(33)27-8-10-32/h1,4-5,15,17-18,32H,2-3,6-14,16H2,(H,27,33)/t18-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP 55,940 from human CB1 receptor expressed in insect sf9 membranes |
Bioorg Med Chem Lett 22: 2932-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50380718
(CHEMBL2017684)Show SMILES NC(=O)CN1CCN(Cc2nc(no2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1 Show InChI InChI=1S/C23H29ClN6O3/c24-19-3-1-2-17-18(13-30(22(17)19)12-16-4-10-32-11-5-16)23-26-21(33-27-23)15-29-8-6-28(7-9-29)14-20(25)31/h1-3,13,16H,4-12,14-15H2,(H2,25,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP 55,940 from human CB2 receptor expressed in insect sf9 membranes |
Bioorg Med Chem Lett 22: 2932-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50380718
(CHEMBL2017684)Show SMILES NC(=O)CN1CCN(Cc2nc(no2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1 Show InChI InChI=1S/C23H29ClN6O3/c24-19-3-1-2-17-18(13-30(22(17)19)12-16-4-10-32-11-5-16)23-26-21(33-27-23)15-29-8-6-28(7-9-29)14-20(25)31/h1-3,13,16H,4-12,14-15H2,(H2,25,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG |
Bioorg Med Chem Lett 22: 2932-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ |
More data for this
Ligand-Target Pair | |
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