BindingDB logo
myBDB logout

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)
LigandTarget/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
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027391
PNG
(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
9.86n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1263-70 (1995)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027391
PNG
(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
169n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1263-70 (1995)

More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50027391
PNG
(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+3n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1263-70 (1995)

More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50027391
PNG
(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+4n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1263-70 (1995)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50027391
PNG
(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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.19E+3n/an/an/an/an/an/a



Reverse proteomics research institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potassium channel HERG


Bioorg Med Chem Lett 15: 2886-90 (2005)

More data for this
Ligand-Target Pair