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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 = 'BDBM50198734'   
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))		BDBM50198734
PNG
(CHEMBL3921605)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(Cl)cc1)C(=O)[C@@H](O)CO)-c1ccc(Cl)cc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C31H27Cl3N4O4/c1-18(20-5-3-2-4-6-20)35-30(41)28-24-16-37(31(42)27(40)17-39)15-21(13-19-7-9-22(32)10-8-19)29(24)38(36-28)26-12-11-23(33)14-25(26)34/h2-14,18,27,39-40H,15-17H2,1H3,(H,35,41)/b21-13+/t18-,27+/m1/s1
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Article
PubMed
n/an/an/an/a 18n/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