null

SMILES: CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(CNS(C)(=O)=O)cc1

InChI Key: InChIKey=KSJVLVHZBFRYDV-FCHUYYIVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50176368   

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))	BDBM50176368 (CHEMBL441124 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(CNS(C)(=O)=O)cc1 Show InChI InChI=1S/C23H32N4O4S/c1-26(22(19-6-4-3-5-7-19)17-27-13-12-21(28)16-27)23(29)15-24-20-10-8-18(9-11-20)14-25-32(2,30)31/h3-11,21-22,24-25,28H,12-17H2,1-2H3/t21-,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	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50176368 (CHEMBL441124 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(CNS(C)(=O)=O)cc1 Show InChI InChI=1S/C23H32N4O4S/c1-26(22(19-6-4-3-5-7-19)17-27-13-12-21(28)16-27)23(29)15-24-20-10-8-18(9-11-20)14-25-32(2,30)31/h3-11,21-22,24-25,28H,12-17H2,1-2H3/t21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+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 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176368 (CHEMBL441124 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(CNS(C)(=O)=O)cc1 Show InChI InChI=1S/C23H32N4O4S/c1-26(22(19-6-4-3-5-7-19)17-27-13-12-21(28)16-27)23(29)15-24-20-10-8-18(9-11-20)14-25-32(2,30)31/h3-11,21-22,24-25,28H,12-17H2,1-2H3/t21-,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	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor in a [35S]GTPgammaS functional assay				Bioorg Med Chem Lett 16: 645-8 (2005) Article DOI: 10.1016/j.bmcl.2005.10.034 BindingDB Entry DOI: 10.7270/Q26W99N3
					More data for this Ligand-Target Pair