null

SMILES: CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2cc(NS(C)(=O)=O)ccc2O1

InChI Key: InChIKey=YQHGOBDJEDJFJK-VWPQPMDRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50174963   

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))	BDBM50174963 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2cc(NS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-6-4-3-5-7-16)15-26-11-10-19(27)14-26)23(28)22-13-17-12-18(24-32(2,29)30)8-9-21(17)31-22/h3-9,12,19-20,22,24,27H,10-11,13-15H2,1-2H3/t19-,20+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	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))	BDBM50174963 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2cc(NS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-6-4-3-5-7-16)15-26-11-10-19(27)14-26)23(28)22-13-17-12-18(24-32(2,29)30)8-9-21(17)31-22/h3-9,12,19-20,22,24,27H,10-11,13-15H2,1-2H3/t19-,20+,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+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