BDBM50517231 CHEMBL4517197

SMILES: OC(=O)C(F)(F)F.Cc1c(nn(c1-c1ccc(cc1)C#CCCOC(=O)CCCCCN)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1

InChI Key: InChIKey=OBLUBAHLPJJLOE-UHFFFAOYSA-N

Data: 1 KI

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 = 50517231   

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))	BDBM50517231 (CHEMBL4517197) Show SMILES OC(=O)C(F)(F)F.Cc1c(nn(c1-c1ccc(cc1)C#CCCOC(=O)CCCCCN)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C32H37Cl2N5O3/c1-23-30(32(41)37-38-19-7-3-8-20-38)36-39(28-17-16-26(33)22-27(28)34)31(23)25-14-12-24(13-15-25)10-5-9-21-42-29(40)11-4-2-6-18-35/h12-17,22H,2-4,6-9,11,18-21,35H2,1H3,(H,37,41)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1R in HEK293 cell membranes after 60 mins liquid scintillation analysis				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126644
					More data for this Ligand-Target Pair