BDBM50037581 6-[2-((S)-2-Dimethylaminomethyl-piperidin-1-yl)-2-oxo-ethyl]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL119524

SMILES: CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1

InChI Key: InChIKey=JTFLWBZDYNOXOR-KRWDZBQOSA-N

Data: 4 KI

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 = 50037581   

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 (Mus musculus (Mouse))	BDBM50037581 (6-[2-((S)-2-Dimethylaminomethyl-piperidin-1-yl)-2-...) Show SMILES CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1 Show InChI InChI=1S/C20H28N2O2/c1-21(2)14-17-7-3-4-11-22(17)20(24)13-15-9-10-18-16(12-15)6-5-8-19(18)23/h9-10,12,17H,3-8,11,13-14H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Evaluated for the binding affinity at kappa receptor				J Med Chem 37: 3482-91 (1994) BindingDB Entry DOI: 10.7270/Q2W37VB6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50037581 (6-[2-((S)-2-Dimethylaminomethyl-piperidin-1-yl)-2-...) Show SMILES CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1 Show InChI InChI=1S/C20H28N2O2/c1-21(2)14-17-7-3-4-11-22(17)20(24)13-15-9-10-18-16(12-15)6-5-8-19(18)23/h9-10,12,17H,3-8,11,13-14H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Evaluated for the binding affinity at delta receptor				J Med Chem 37: 3482-91 (1994) BindingDB Entry DOI: 10.7270/Q2W37VB6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50037581 (6-[2-((S)-2-Dimethylaminomethyl-piperidin-1-yl)-2-...) Show SMILES CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1 Show InChI InChI=1S/C20H28N2O2/c1-21(2)14-17-7-3-4-11-22(17)20(24)13-15-9-10-18-16(12-15)6-5-8-19(18)23/h9-10,12,17H,3-8,11,13-14H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Evaluated for the binding affinity at sigma receptor				J Med Chem 37: 3482-91 (1994) BindingDB Entry DOI: 10.7270/Q2W37VB6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50037581 (6-[2-((S)-2-Dimethylaminomethyl-piperidin-1-yl)-2-...) Show SMILES CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1 Show InChI InChI=1S/C20H28N2O2/c1-21(2)14-17-7-3-4-11-22(17)20(24)13-15-9-10-18-16(12-15)6-5-8-19(18)23/h9-10,12,17H,3-8,11,13-14H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Evaluated for the binding affinity at mu receptor				J Med Chem 37: 3482-91 (1994) BindingDB Entry DOI: 10.7270/Q2W37VB6
					More data for this Ligand-Target Pair