BDBM50012237 CHEMBL4072866

SMILES: Fc1cccc(c1)C(=O)NCC1NCCc2ccccc12

InChI Key: InChIKey=XOVRURUHZKWDKA-BWVDBABLSA-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 = 50012237   

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))	BDBM50012237 (CHEMBL4072866) Show SMILES Fc1cccc(c1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C10H14N2O11P2/c1-5-8(14)6(4-21-25(19,20)23-24(16,17)18)22-9(5)12-3-2-7(13)11-10(12)15/h2-3,6,8-9,14H,1,4H2,(H,19,20)(H,11,13,15)(H2,16,17,18)/t6-,8+,9-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	780	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