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BDBM50323005 1'-(5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(3-(methylsulfonamido)propyl)-1H-pyrrole-2-carbonyl)-4,4-dimethyl-1,4'-bipiperidine-4'-carboxamide::CHEMBL1210781

SMILES: CC1(C)CCN(CC1)C1(CCN(CC1)C(=O)c1cc(c(-c2ccc(Cl)cc2)n1CCCNS(C)(=O)=O)-c1ccc(Cl)cc1Cl)C(N)=O

InChI Key: InChIKey=ODQVFPXSIHLBPD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50323005   
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))		BDBM50323005
PNG
(1'-(5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-(3...)
Show SMILES CC1(C)CCN(CC1)C1(CCN(CC1)C(=O)c1cc(c(-c2ccc(Cl)cc2)n1CCCNS(C)(=O)=O)-c1ccc(Cl)cc1Cl)C(N)=O
Show InChI InChI=1S/C34H42Cl3N5O4S/c1-33(2)11-19-41(20-12-33)34(32(38)44)13-17-40(18-14-34)31(43)29-22-27(26-10-9-25(36)21-28(26)37)30(23-5-7-24(35)8-6-23)42(29)16-4-15-39-47(3,45)46/h5-10,21-22,39H,4,11-20H2,1-3H3,(H2,38,44)
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PubMed
n/an/a 4.30n/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