BDBM50224314 CHEMBL174189

SMILES: [N-]=[N+]=CC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1

InChI Key: InChIKey=ZDDHNKMOQYTXAB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50224314   

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
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50224314 (CHEMBL174189) Show SMILES [N-]=[N+]=CC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C21H24N4O/c22-23-17-21(26)25(19-9-5-2-6-10-19)20-12-15-24(16-13-20)14-11-18-7-3-1-4-8-18/h1-10,17,20H,11-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]nalotrexone from rat-brain Opioid receptors				J Med Chem 25: 913-9 (1982) BindingDB Entry DOI: 10.7270/Q2CF9S9G
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50224314 (CHEMBL174189) Show SMILES [N-]=[N+]=CC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C21H24N4O/c22-23-17-21(26)25(19-9-5-2-6-10-19)20-12-15-24(16-13-20)14-11-18-7-3-1-4-8-18/h1-10,17,20H,11-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement [3H]naloxone from rat-brain Opioid receptors				J Med Chem 25: 913-9 (1982) BindingDB Entry DOI: 10.7270/Q2CF9S9G
					More data for this Ligand-Target Pair