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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198733'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198733
PNG
(CHEMBL3896570)
Show SMILES COc1ccc(\C=C2/CN(Cc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)N[C@H](C)c2ccccn2)C(=O)CS(N)(=O)=O)cc1 |r|
Show InChI InChI=1S/C30H28Cl2N6O5S/c1-18(25-5-3-4-12-34-25)35-30(40)28-23-16-37(27(39)17-44(33,41)42)15-20(13-19-6-9-22(43-2)10-7-19)29(23)38(36-28)26-11-8-21(31)14-24(26)32/h3-14,18H,15-17H2,1-2H3,(H,35,40)(H2,33,41,42)/b20-13+/t18-/m1/s1
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Article
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n/an/an/an/a 8n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor transfected in HEK293 cells assessed as increase of forskolin-induced cAMP production incubated for 30...

Bioorg Med Chem Lett 26: 5597-5601 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.026
BindingDB Entry DOI: 10.7270/Q2GM898H
More data for this
Ligand-Target Pair