Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50056324' 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)) | BDBM50056324
(CHEMBL3322460)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)[C@H]1CC[C@H](CC1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wD:38.44,35.37,(27.43,-39.65,;26.41,-40.81,;24.88,-40.66,;24.26,-42.07,;25.42,-43.09,;26.74,-42.31,;28.15,-42.92,;28.32,-44.45,;29.73,-45.06,;30.97,-44.15,;32.39,-44.76,;30.79,-42.61,;29.38,-42,;25.27,-44.62,;26.52,-45.51,;26.38,-47.04,;24.98,-47.69,;24.83,-49.22,;23.72,-46.79,;23.87,-45.26,;22.62,-44.37,;24.1,-39.34,;22.56,-39.35,;24.85,-38,;24.07,-36.67,;24.83,-35.33,;24.04,-34,;24.8,-32.66,;24.02,-31.34,;24.78,-29.99,;23.99,-28.67,;24.75,-27.33,;23.97,-26,;24.73,-24.66,;26.27,-24.64,;23.94,-23.34,;24.69,-21.99,;23.91,-20.67,;22.37,-20.69,;21.61,-22.03,;22.4,-23.35,;21.59,-19.36,;22.34,-18.02,;20.05,-19.38,;19.29,-20.72,;17.75,-20.74,;17,-22.08,;15.46,-22.1,;14.7,-23.44,;13.16,-23.46,;12.41,-24.8,;10.87,-24.82,;10.11,-26.16,;8.57,-26.19,;7.81,-27.54,;7.78,-24.86,;6.23,-24.84,;5.76,-23.37,;7.02,-22.48,;8.27,-23.39,;9.74,-22.93,;7.04,-20.93,;8.39,-20.17,;8.4,-18.62,;7.08,-17.84,;7.09,-16.29,;5.73,-18.59,;5.71,-20.14,;4.41,-22.62,;4.39,-21.07,;3.05,-20.31,;1.72,-21.1,;.37,-20.35,;1.74,-22.65,;3.09,-23.4,;3.11,-24.95,)| Show InChI InChI=1S/C58H66Cl6N8O4/c1-37-51(69-71(49-29-27-45(61)35-47(49)63)53(37)39-19-23-43(59)24-20-39)57(75)67-33-13-9-5-3-7-11-31-65-55(73)41-15-17-42(18-16-41)56(74)66-32-12-8-4-6-10-14-34-68-58(76)52-38(2)54(40-21-25-44(60)26-22-40)72(70-52)50-30-28-46(62)36-48(50)64/h19-30,35-36,41-42H,3-18,31-34H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t41-,42+ | 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 | n/a | n/a | 8.71E+3 | n/a | n/a | n/a | n/a |
Julius-Maximilians-Universit£t W£rzburg
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af... |
Bioorg Med Chem Lett 24: 4209-14 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.038
BindingDB Entry DOI: 10.7270/Q26M38HV |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50056324
(CHEMBL3322460)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)[C@H]1CC[C@H](CC1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wD:38.44,35.37,(27.43,-39.65,;26.41,-40.81,;24.88,-40.66,;24.26,-42.07,;25.42,-43.09,;26.74,-42.31,;28.15,-42.92,;28.32,-44.45,;29.73,-45.06,;30.97,-44.15,;32.39,-44.76,;30.79,-42.61,;29.38,-42,;25.27,-44.62,;26.52,-45.51,;26.38,-47.04,;24.98,-47.69,;24.83,-49.22,;23.72,-46.79,;23.87,-45.26,;22.62,-44.37,;24.1,-39.34,;22.56,-39.35,;24.85,-38,;24.07,-36.67,;24.83,-35.33,;24.04,-34,;24.8,-32.66,;24.02,-31.34,;24.78,-29.99,;23.99,-28.67,;24.75,-27.33,;23.97,-26,;24.73,-24.66,;26.27,-24.64,;23.94,-23.34,;24.69,-21.99,;23.91,-20.67,;22.37,-20.69,;21.61,-22.03,;22.4,-23.35,;21.59,-19.36,;22.34,-18.02,;20.05,-19.38,;19.29,-20.72,;17.75,-20.74,;17,-22.08,;15.46,-22.1,;14.7,-23.44,;13.16,-23.46,;12.41,-24.8,;10.87,-24.82,;10.11,-26.16,;8.57,-26.19,;7.81,-27.54,;7.78,-24.86,;6.23,-24.84,;5.76,-23.37,;7.02,-22.48,;8.27,-23.39,;9.74,-22.93,;7.04,-20.93,;8.39,-20.17,;8.4,-18.62,;7.08,-17.84,;7.09,-16.29,;5.73,-18.59,;5.71,-20.14,;4.41,-22.62,;4.39,-21.07,;3.05,-20.31,;1.72,-21.1,;.37,-20.35,;1.74,-22.65,;3.09,-23.4,;3.11,-24.95,)| Show InChI InChI=1S/C58H66Cl6N8O4/c1-37-51(69-71(49-29-27-45(61)35-47(49)63)53(37)39-19-23-43(59)24-20-39)57(75)67-33-13-9-5-3-7-11-31-65-55(73)41-15-17-42(18-16-41)56(74)66-32-12-8-4-6-10-14-34-68-58(76)52-38(2)54(40-21-25-44(60)26-22-40)72(70-52)50-30-28-46(62)36-48(50)64/h19-30,35-36,41-42H,3-18,31-34H2,1-2H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t41-,42+ | 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 | n/a | n/a | 8.71E+3 | n/a | n/a | n/a | n/a |
Julius-Maximilians-Universit£t W£rzburg
Curated by ChEMBL
| Assay Description
Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP af... |
Bioorg Med Chem Lett 24: 4209-14 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.038
BindingDB Entry DOI: 10.7270/Q26M38HV |
More data for this
Ligand-Target Pair | |
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