BDBM50042754 CHEMBL4070613

SMILES: O=C(NCC1NCCc2ccccc12)C1CCC1

InChI Key: InChIKey=IFUBWOPKHUVWAA-UHFFFAOYSA-N

Data: 1 EC50

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 = 50042754   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50042754 (CHEMBL4070613) Show SMILES O=C(NCC1NCCc2ccccc12)C1CCC1 Show InChI InChI=1S/C25H32F3NO4/c1-5-6-7-8-9-12-15-33-24(31)21-17(3)29-16(2)20(23(30)32-4)22(21)18-13-10-11-14-19(18)25(26,27)28/h10-11,13-14,20,22H,5-9,12,15H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO-K1 cells co-expressing Galpha 15 assessed as increase in intracellular calcium release incubated for 1...				Eur J Med Chem 126: 202-217 (2017) BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair