BDBM50093972 CHEMBL87986::N-Methyl-2-(4-nitro-phenyl)-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide

SMILES: CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=VZRQVUKCEALCCP-HXUWFJFHSA-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 = 50093972   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50093972 (CHEMBL87986 | N-Methyl-2-(4-nitro-phenyl)-N-((S)-1...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H25N3O3/c1-22(21(25)15-17-9-11-19(12-10-17)24(26)27)20(16-23-13-5-6-14-23)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
					More data for this Ligand-Target Pair