BDBM50176370 CHEMBL201572::N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2-(4-nitrophenylamino)acetamide

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

InChI Key: InChIKey=VXIVRXFVALQQLI-VQTJNVASSA-N

Data: 1 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 3 hits for monomerid = 50176370   

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))	BDBM50176370 (CHEMBL201572 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H26N4O4/c1-23(21(27)13-22-17-7-9-18(10-8-17)25(28)29)20(16-5-3-2-4-6-16)15-24-12-11-19(26)14-24/h2-10,19-20,22,26H,11-15H2,1H3/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.210	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176370 (CHEMBL201572 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H26N4O4/c1-23(21(27)13-22-17-7-9-18(10-8-17)25(28)29)20(16-5-3-2-4-6-16)15-24-12-11-19(26)14-24/h2-10,19-20,22,26H,11-15H2,1H3/t19-,20+/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	0.230	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50176370 (CHEMBL201572 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H26N4O4/c1-23(21(27)13-22-17-7-9-18(10-8-17)25(28)29)20(16-5-3-2-4-6-16)15-24-12-11-19(26)14-24/h2-10,19-20,22,26H,11-15H2,1H3/t19-,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+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