Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198736'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50198736 (CHEMBL3977281) Show SMILES C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(Cl)cc1)C(=O)CNS(C)(=O)=O)-c1ccc(Cl)cc1Cl)c1ccccn1 |r| Show InChI InChI=1S/C30H27Cl3N6O4S/c1-18(25-5-3-4-12-34-25)36-30(41)28-23-17-38(27(40)15-35-44(2,42)43)16-20(13-19-6-8-21(31)9-7-19)29(23)39(37-28)26-11-10-22(32)14-24(26)33/h3-14,18,35H,15-17H2,1-2H3,(H,36,41)/b20-13+/t18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/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
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