BDBM50027391 Acetic acid (1S,4S)-4-dimethylamino-1-ethyl-2,2-diphenyl-pentyl ester::Acetic acid 4-dimethylamino-1-ethyl-2,2-diphenyl-pentyl ester::Alphacetylmethadol::CHEMBL170179::Methadyl acetate::alpha-(-)-Acetylmethadol

SMILES: CCC(OC(C)=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=XBMIVRRWGCYBTQ-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 5 hits for monomerid = 50027391   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50027391 (Acetic acid (1S,4S)-4-dimethylamino-1-ethyl-2,2-di...) Show SMILES CCC(OC(C)=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	9.86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R.W. Johnson Pharmaceutical Research Institute Curated by PDSP Ki Database									J Pharmacol Exp Ther 274: 1263-70 (1995) BindingDB Entry DOI: 10.7270/Q2R20ZVX
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50027391 (Acetic acid (1S,4S)-4-dimethylamino-1-ethyl-2,2-di...) Show SMILES CCC(OC(C)=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R.W. Johnson Pharmaceutical Research Institute Curated by PDSP Ki Database									J Pharmacol Exp Ther 274: 1263-70 (1995) BindingDB Entry DOI: 10.7270/Q2R20ZVX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50027391 (Acetic acid (1S,4S)-4-dimethylamino-1-ethyl-2,2-di...) Show SMILES CCC(OC(C)=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R.W. Johnson Pharmaceutical Research Institute Curated by PDSP Ki Database									J Pharmacol Exp Ther 274: 1263-70 (1995) BindingDB Entry DOI: 10.7270/Q2R20ZVX
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM50027391 (Acetic acid (1S,4S)-4-dimethylamino-1-ethyl-2,2-di...) Show SMILES CCC(OC(C)=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3	GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R.W. Johnson Pharmaceutical Research Institute Curated by PDSP Ki Database									J Pharmacol Exp Ther 274: 1263-70 (1995) BindingDB Entry DOI: 10.7270/Q2R20ZVX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50027391 (Acetic acid (1S,4S)-4-dimethylamino-1-ethyl-2,2-di...) Show SMILES CCC(OC(C)=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Reverse proteomics research institute Curated by ChEMBL					Assay Description Inhibitory concentration against potassium channel HERG				Bioorg Med Chem Lett 15: 2886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.03.080 BindingDB Entry DOI: 10.7270/Q29S1S7C
					More data for this Ligand-Target Pair