BDBM50037594 2-[2-Oxo-2-((S)-2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethyl]-6,7-dihydro-5H-benzo[b]thiophen-4-one::CHEMBL333621

SMILES: O=C(Cc1cc2c(CCCC2=O)s1)N1CCCC[C@H]1CN1CCCC1

InChI Key: InChIKey=KDFBPMHBQZWFDU-HNNXBMFYSA-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 = 50037594   

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 (Mus musculus (Mouse))	BDBM50037594 (2-[2-Oxo-2-((S)-2-pyrrolidin-1-ylmethyl-piperidin-...) Show SMILES O=C(Cc1cc2c(CCCC2=O)s1)N1CCCC[C@H]1CN1CCCC1 Show InChI InChI=1S/C20H28N2O2S/c23-18-7-5-8-19-17(18)12-16(25-19)13-20(24)22-11-2-1-6-15(22)14-21-9-3-4-10-21/h12,15H,1-11,13-14H2/t15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Evaluated for the binding affinity at kappa receptor				J Med Chem 37: 3482-91 (1994) BindingDB Entry DOI: 10.7270/Q2W37VB6
					More data for this Ligand-Target Pair