BDBM50418218 CHEMBL1760656

SMILES: COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CC1

InChI Key: InChIKey=KGMCFKSMLCCWTL-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418218   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50418218 (CHEMBL1760656) Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CC1 Show InChI InChI=1S/C24H22F3N3O4/c1-33-21-5-3-18(34-24(25,26)27)9-17(21)12-30-19-4-2-15(11-28)8-16(19)10-20(30)22(32)29-13-23(14-31)6-7-23/h2-5,8-10,31H,6-7,12-14H2,1H3,(H,29,32)	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	5.13	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Antagonist activity against human CB1 receptor				Bioorg Med Chem Lett 21: 2034-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM
					More data for this Ligand-Target Pair