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SMILES: Clc1ccc(cc1)-c1cc(C(=O)NN2CCCCC2)c(OCc2ccccc2)nc1-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=MQPIPCZNBMMMNO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50160135   
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


(Homo sapiens (Human))		BDBM50160135
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(cc1)-c1cc(C(=O)NN2CCCCC2)c(OCc2ccccc2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H26Cl3N3O2/c31-22-11-9-21(10-12-22)25-18-26(29(37)35-36-15-5-2-6-16-36)30(38-19-20-7-3-1-4-8-20)34-28(25)24-14-13-23(32)17-27(24)33/h1,3-4,7-14,17-18H,2,5-6,15-16,19H2,(H,35,37)
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)

Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair