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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 = 'BDBM50198730'   
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))		BDBM50198730
PNG
(CHEMBL3950659)
Show SMILES COc1ccc(\C=C2/CN(Cc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)N[C@H](C)c2ccccc2)C(=O)Cn2ccnn2)cc1 |r|
Show InChI InChI=1S/C33H29Cl2N7O3/c1-21(23-6-4-3-5-7-23)37-33(44)31-27-19-40(30(43)20-41-15-14-36-39-41)18-24(16-22-8-11-26(45-2)12-9-22)32(27)42(38-31)29-13-10-25(34)17-28(29)35/h3-17,21H,18-20H2,1-2H3,(H,37,44)/b24-16+/t21-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4n/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