BDBM50166629 2-[4-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide::CHEMBL359557

SMILES: CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNC(C)=O)cc1

InChI Key: InChIKey=NKSBRGGYTJJURD-HSZRJFAPSA-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 = 50166629   

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))	BDBM50166629 (2-[4-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNC(C)=O)cc1 Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-21-12-10-20(11-13-21)16-24(29)26(2)23(18-27-14-6-7-15-27)22-8-4-3-5-9-22/h3-5,8-13,23H,6-7,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand				Bioorg Med Chem Lett 15: 2647-52 (2005) Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50166629 (2-[4-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNC(C)=O)cc1 Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-21-12-10-20(11-13-21)16-24(29)26(2)23(18-27-14-6-7-15-27)22-8-4-3-5-9-22/h3-5,8-13,23H,6-7,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate				Bioorg Med Chem Lett 15: 2647-52 (2005) Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166629 (2-[4-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNC(C)=O)cc1 Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-21-12-10-20(11-13-21)16-24(29)26(2)23(18-27-14-6-7-15-27)22-8-4-3-5-9-22/h3-5,8-13,23H,6-7,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand				Bioorg Med Chem Lett 15: 2647-52 (2005) Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4
					More data for this Ligand-Target Pair