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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 = 'BDBM50198735'   
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))		BDBM50198735
PNG
(CHEMBL3960011)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(F)cc1)C(=O)c1nc[nH]n1)-c1ccc(Cl)cc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C31H24Cl2FN7O2/c1-18(20-5-3-2-4-6-20)37-30(42)27-24-16-40(31(43)29-35-17-36-38-29)15-21(13-19-7-10-23(34)11-8-19)28(24)41(39-27)26-12-9-22(32)14-25(26)33/h2-14,17-18H,15-16H2,1H3,(H,37,42)(H,35,36,38)/b21-13+/t18-/m1/s1
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Similars
Article
PubMed
n/an/an/an/a 15n/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