null

SMILES: CCCS(=O)(=O)NCc1ccc2O[C@@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1

InChI Key: InChIKey=LUHWSRYUHCKNDP-ARNLJNQMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50174944   

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))	BDBM50174944 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CCCS(=O)(=O)NCc1ccc2O[C@@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C26H35N3O5S/c1-3-13-35(32,33)27-16-19-9-10-24-21(14-19)15-25(34-24)26(31)28(2)23(20-7-5-4-6-8-20)18-29-12-11-22(30)17-29/h4-10,14,22-23,25,27,30H,3,11-13,15-18H2,1-2H3/t22-,23+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50174944 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CCCS(=O)(=O)NCc1ccc2O[C@@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C26H35N3O5S/c1-3-13-35(32,33)27-16-19-9-10-24-21(14-19)15-25(34-24)26(31)28(2)23(20-7-5-4-6-8-20)18-29-12-11-22(30)17-29/h4-10,14,22-23,25,27,30H,3,11-13,15-18H2,1-2H3/t22-,23+,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibitory activity against CYP2D6				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair