Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198739'   

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))	BDBM50198739 (CHEMBL3915613) Show SMILES C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(Cl)cc1)C(=O)Cn1cncn1)-c1ccc(Cl)c(Cl)c1)c1ccccn1 |r| Show InChI InChI=1S/C31H25Cl3N8O2/c1-19(27-4-2-3-11-36-27)38-31(44)29-24-15-40(28(43)16-41-18-35-17-37-41)14-21(12-20-5-7-22(32)8-6-20)30(24)42(39-29)23-9-10-25(33)26(34)13-23/h2-13,17-19H,14-16H2,1H3,(H,38,44)/b21-12+/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6	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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