BDBM50088379 1-[4-(5,6-Dichloro-indane-1-carbonyl)-thiomorpholin-3-ylmethyl]-pyrrolidinium

SMILES: Clc1cc2CC[C@@H](C(=O)N3CCSC[C@H]3C[NH+]3CCCC3)c2cc1Cl

InChI Key: InChIKey=RJMVKKVRRJUURW-HUUCEWRRSA-O

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 = 50088379   

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 (Cavia porcellus (domestic guinea pig))	BDBM50088379 (1-[4-(5,6-Dichloro-indane-1-carbonyl)-thiomorpholi...) Show SMILES Clc1cc2CC[C@@H](C(=O)N3CCSC[C@H]3C[NH+]3CCCC3)c2cc1Cl Show InChI InChI=1S/C19H24Cl2N2OS/c20-17-9-13-3-4-15(16(13)10-18(17)21)19(24)23-7-8-25-12-14(23)11-22-5-1-2-6-22/h9-10,14-15H,1-8,11-12H2/p+1/t14-,15-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 in guinea pig brain homogenates				J Med Chem 43: 2124-34 (2000) BindingDB Entry DOI: 10.7270/Q23N242D
					More data for this Ligand-Target Pair