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BDBM50323006 1'-(5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(3-(methylsulfonamido)propyl)-1H-pyrrole-2-carbonyl)-4,4-difluoro-1,4'-bipiperidine-4'-carboxamide::CHEMBL1210782

SMILES: CS(=O)(=O)NCCCn1c(cc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(N1CCC(F)(F)CC1)C(N)=O

InChI Key: InChIKey=YHONTRPKANXJPY-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50323006   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50323006
PNG
(1'-(5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(3...)
Show SMILES CS(=O)(=O)NCCCn1c(cc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(N1CCC(F)(F)CC1)C(N)=O
Show InChI InChI=1S/C32H36Cl3F2N5O4S/c1-47(45,46)39-13-2-14-42-27(20-25(24-8-7-23(34)19-26(24)35)28(42)21-3-5-22(33)6-4-21)29(43)40-15-9-31(10-16-40,30(38)44)41-17-11-32(36,37)12-18-41/h3-8,19-20,39H,2,9-18H2,1H3,(H2,38,44)
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PC sid
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PubMed
n/an/a 1n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor in rat brain synaptosomal membranes


Bioorg Med Chem Lett 20: 4573-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.017
BindingDB Entry DOI: 10.7270/Q28G8KV6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50323006
PNG
(1'-(5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(3...)
Show SMILES CS(=O)(=O)NCCCn1c(cc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(N1CCC(F)(F)CC1)C(N)=O
Show InChI InChI=1S/C32H36Cl3F2N5O4S/c1-47(45,46)39-13-2-14-42-27(20-25(24-8-7-23(34)19-26(24)35)28(42)21-3-5-22(33)6-4-21)29(43)40-15-9-31(10-16-40,30(38)44)41-17-11-32(36,37)12-18-41/h3-8,19-20,39H,2,9-18H2,1H3,(H2,38,44)
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PubMed
n/an/an/an/a 15n/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Antagonist activity at CB1 receptor in forskolin-stimulated human U373-MG cells assessed as inhibition of CP-55940-induced cAMP accumulation


Bioorg Med Chem Lett 20: 4573-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.017
BindingDB Entry DOI: 10.7270/Q28G8KV6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50323006
PNG
(1'-(5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(3...)
Show SMILES CS(=O)(=O)NCCCn1c(cc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(N1CCC(F)(F)CC1)C(N)=O
Show InChI InChI=1S/C32H36Cl3F2N5O4S/c1-47(45,46)39-13-2-14-42-27(20-25(24-8-7-23(34)19-26(24)35)28(42)21-3-5-22(33)6-4-21)29(43)40-15-9-31(10-16-40,30(38)44)41-17-11-32(36,37)12-18-41/h3-8,19-20,39H,2,9-18H2,1H3,(H2,38,44)
PDB

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Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4573-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.017
BindingDB Entry DOI: 10.7270/Q28G8KV6
More data for this
Ligand-Target Pair