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BDBM50160430 CHEMBL180788::N-((S)-1-{4-[4-Methoxy-2-(4-methoxy-benzenesulfonyl)-benzenesulfonyl]-phenyl}-ethyl)-2,2-dimethyl-propionamide

SMILES: COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)C(C)(C)C

InChI Key: InChIKey=QJGPIDDPZBGDTJ-SFHVURJKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50160430   
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))
BDBM50160430
PNG
(CHEMBL180788 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)C(C)(C)C
Show InChI InChI=1S/C27H31NO7S2/c1-18(28-26(29)27(2,3)4)19-7-12-22(13-8-19)36(30,31)24-16-11-21(35-6)17-25(24)37(32,33)23-14-9-20(34-5)10-15-23/h7-18H,1-6H3,(H,28,29)/t18-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.31E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
More data for this
Ligand-Target Pair