BDBM50160838 CHEMBL365198::N-Methyl-N-[(S)-1-(3-nitro-phenyl)-2-pyrrolidin-1-yl-ethyl]-2-(4-trifluoromethyl-phenyl)-acetamide

SMILES: CN([C@H](CN1CCCC1)c1cccc(c1)[N+]([O-])=O)C(=O)Cc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=LOWHYEVMLNYNLM-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 = 50160838   

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))	BDBM50160838 (CHEMBL365198 | N-Methyl-N-[(S)-1-(3-nitro-phenyl)-...) Show SMILES CN([C@H](CN1CCCC1)c1cccc(c1)[N+]([O-])=O)C(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H24F3N3O3/c1-26(21(29)13-16-7-9-18(10-8-16)22(23,24)25)20(15-27-11-2-3-12-27)17-5-4-6-19(14-17)28(30)31/h4-10,14,20H,2-3,11-13,15H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of bound [3H]-diprenorphine from membranes expressing cloned human kappa opioid receptor				Bioorg Med Chem Lett 15: 1091-5 (2005) Article DOI: 10.1016/j.bmcl.2004.12.018 BindingDB Entry DOI: 10.7270/Q2JW8DCG
					More data for this Ligand-Target Pair