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BDBM50056323 CHEMBL3322459

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

InChI Key: InChIKey=DIFADDLOGWFLQI-AQOUDTPCSA-N

Data: 2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50056323   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50056323
PNG
(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
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+
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Article
PubMed
n/an/an/an/a 9.66E+3n/an/an/an/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
PNG
(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
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

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UniChem

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Similars

Article
PubMed
n/an/an/an/a 9.55E+3n/an/an/an/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