Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50056323' 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)) | BDBM50056323
(CHEMBL3322459)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)[C@H]1CC[C@H](CC1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wD:34.40,31.33,(30.48,-10.81,;30.17,-12.31,;28.77,-12.95,;28.93,-14.48,;30.44,-14.79,;31.2,-13.45,;32.72,-13.28,;33.63,-14.53,;35.16,-14.36,;35.78,-12.95,;37.31,-12.78,;34.86,-11.71,;33.34,-11.88,;31.07,-16.19,;32.6,-16.34,;33.23,-17.73,;32.33,-18.99,;32.97,-20.39,;30.8,-18.84,;30.17,-17.44,;28.64,-17.28,;27.43,-12.18,;26.1,-12.96,;27.42,-10.65,;26.09,-9.88,;26.08,-8.34,;24.75,-7.58,;24.74,-6.04,;23.4,-5.28,;23.4,-3.74,;24.72,-2.97,;22.04,-3.01,;22.01,-1.46,;20.66,-.72,;19.36,-1.52,;19.38,-3.06,;20.73,-3.8,;18.01,-.78,;17.98,.76,;16.69,-1.57,;16.72,-3.12,;15.4,-3.92,;15.44,-5.46,;14.11,-6.26,;14.14,-7.81,;12.82,-8.61,;12.86,-10.15,;11.47,-7.86,;10.13,-8.63,;8.98,-7.6,;9.61,-6.19,;11.15,-6.35,;12.19,-5.21,;8.84,-4.85,;9.62,-3.51,;8.85,-2.17,;7.31,-2.17,;6.53,-.82,;6.53,-3.51,;7.3,-4.84,;7.44,-7.64,;6.64,-6.31,;5.09,-6.34,;4.35,-7.69,;2.81,-7.73,;5.15,-9.02,;6.69,-8.98,;7.49,-10.3,)| Show InChI InChI=1S/C50H50Cl6N8O4/c1-29-43(61-63(41-21-19-37(53)27-39(41)55)45(29)31-11-15-35(51)16-12-31)49(67)59-25-5-3-23-57-47(65)33-7-9-34(10-8-33)48(66)58-24-4-6-26-60-50(68)44-30(2)46(32-13-17-36(52)18-14-32)64(62-44)42-22-20-38(54)28-40(42)56/h11-22,27-28,33-34H,3-10,23-26H2,1-2H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34+ | 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 | 9.66E+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)) | BDBM50056323
(CHEMBL3322459)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCNC(=O)[C@H]1CC[C@H](CC1)C(=O)NCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wD:34.40,31.33,(30.48,-10.81,;30.17,-12.31,;28.77,-12.95,;28.93,-14.48,;30.44,-14.79,;31.2,-13.45,;32.72,-13.28,;33.63,-14.53,;35.16,-14.36,;35.78,-12.95,;37.31,-12.78,;34.86,-11.71,;33.34,-11.88,;31.07,-16.19,;32.6,-16.34,;33.23,-17.73,;32.33,-18.99,;32.97,-20.39,;30.8,-18.84,;30.17,-17.44,;28.64,-17.28,;27.43,-12.18,;26.1,-12.96,;27.42,-10.65,;26.09,-9.88,;26.08,-8.34,;24.75,-7.58,;24.74,-6.04,;23.4,-5.28,;23.4,-3.74,;24.72,-2.97,;22.04,-3.01,;22.01,-1.46,;20.66,-.72,;19.36,-1.52,;19.38,-3.06,;20.73,-3.8,;18.01,-.78,;17.98,.76,;16.69,-1.57,;16.72,-3.12,;15.4,-3.92,;15.44,-5.46,;14.11,-6.26,;14.14,-7.81,;12.82,-8.61,;12.86,-10.15,;11.47,-7.86,;10.13,-8.63,;8.98,-7.6,;9.61,-6.19,;11.15,-6.35,;12.19,-5.21,;8.84,-4.85,;9.62,-3.51,;8.85,-2.17,;7.31,-2.17,;6.53,-.82,;6.53,-3.51,;7.3,-4.84,;7.44,-7.64,;6.64,-6.31,;5.09,-6.34,;4.35,-7.69,;2.81,-7.73,;5.15,-9.02,;6.69,-8.98,;7.49,-10.3,)| Show InChI InChI=1S/C50H50Cl6N8O4/c1-29-43(61-63(41-21-19-37(53)27-39(41)55)45(29)31-11-15-35(51)16-12-31)49(67)59-25-5-3-23-57-47(65)33-7-9-34(10-8-33)48(66)58-24-4-6-26-60-50(68)44-30(2)46(32-13-17-36(52)18-14-32)64(62-44)42-22-20-38(54)28-40(42)56/h11-22,27-28,33-34H,3-10,23-26H2,1-2H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t33-,34+ | 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 | 9.55E+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 | |
Search and Browse
