BDBM50042894 CHEMBL4080799

SMILES: O=C(NCC1NCCc2ccccc12)N1CCOCC1

InChI Key: InChIKey=NDBNDPXFJMJLCS-JMMIECQRSA-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 = 50042894   

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))	BDBM50042894 (CHEMBL4080799) Show SMILES O=C(NCC1NCCc2ccccc12)N1CCOCC1 Show InChI InChI=1S/C28H39N5O11/c1-14(2)10-18(30-16(4)34)26(41)32-19(12-22(35)36)25(40)29-15(3)24(39)31-20(13-23(37)38)27(42)33-21(28(43)44)11-17-8-6-5-7-9-17/h5-9,14-15,18-21H,10-13H2,1-4H3,(H,29,40)(H,30,34)(H,31,39)(H,32,41)(H,33,42)(H,35,36)(H,37,38)(H,43,44)/t15-,18-,19-,20-,21-/m0/s1	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	8.08E+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