BDBM50176364 2-(Acetyl-phenyl-amino)-N-[(S)-2-((S)-3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-acetamide::CHEMBL202591

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

InChI Key: InChIKey=SJHKJRARQHDQKM-FCHUYYIVSA-N

Data: 2 KI  1 IC50  1 EC50

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 4 hits for monomerid = 50176364   

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))	BDBM50176364 (2-(Acetyl-phenyl-amino)-N-[(S)-2-((S)-3-hydroxy-py...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CN(C(C)=O)c1ccccc1 Show InChI InChI=1S/C23H29N3O3/c1-18(27)26(20-11-7-4-8-12-20)17-23(29)24(2)22(19-9-5-3-6-10-19)16-25-14-13-21(28)15-25/h3-12,21-22,28H,13-17H2,1-2H3/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	3.80	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176364 (2-(Acetyl-phenyl-amino)-N-[(S)-2-((S)-3-hydroxy-py...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CN(C(C)=O)c1ccccc1 Show InChI InChI=1S/C23H29N3O3/c1-18(27)26(20-11-7-4-8-12-20)17-23(29)24(2)22(19-9-5-3-6-10-19)16-25-14-13-21(28)15-25/h3-12,21-22,28H,13-17H2,1-2H3/t21-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	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 mu 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))	BDBM50176364 (2-(Acetyl-phenyl-amino)-N-[(S)-2-((S)-3-hydroxy-py...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CN(C(C)=O)c1ccccc1 Show InChI InChI=1S/C23H29N3O3/c1-18(27)26(20-11-7-4-8-12-20)17-23(29)24(2)22(19-9-5-3-6-10-19)16-25-14-13-21(28)15-25/h3-12,21-22,28H,13-17H2,1-2H3/t21-,22+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	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))	BDBM50176364 (2-(Acetyl-phenyl-amino)-N-[(S)-2-((S)-3-hydroxy-py...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CN(C(C)=O)c1ccccc1 Show InChI InChI=1S/C23H29N3O3/c1-18(27)26(20-11-7-4-8-12-20)17-23(29)24(2)22(19-9-5-3-6-10-19)16-25-14-13-21(28)15-25/h3-12,21-22,28H,13-17H2,1-2H3/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	7.40	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