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BDBM83450 ALFENTANIL::Alfentanil hydrochloride::MLS002320667::N-[1-[2-(4-ethyl-5-keto-tetrazol-1-yl)ethyl]-4-(methoxymethyl)-4-piperidyl]-N-phenyl-propionamide;hydrochloride::N-[1-[2-(4-ethyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenyl-propanamide;hydrochloride::N-[1-[2-(4-ethyl-5-oxo-1-tetrazolyl)ethyl]-4-(methoxymethyl)-4-piperidinyl]-N-phenylpropanamide;hydrochloride::N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride::SMR001338813::cid_64761

SMILES: CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1

InChI Key: InChIKey=IDBPHNDTYPBSNI-UHFFFAOYSA-N

Data: 2 KI  4 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 7 hits for monomerid = 83450   
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))
BDBM83450
PNG
(ALFENTANIL | Alfentanil hydrochloride | MLS0023206...)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
Show InChI InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
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PC cid
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PubMed
8.20n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.


J Med Chem 33: 2876-82 (1990)


Article DOI: 10.1021/jm00172a032
BindingDB Entry DOI: 10.7270/Q2X34WF4
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM83450
PNG
(ALFENTANIL | Alfentanil hydrochloride | MLS0023206...)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
Show InChI InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
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8.20n/an/an/an/an/an/an/an/a



Anaquest Pharmaceuticals

Curated by ChEMBL


Assay Description
Antimuscarinic activity on the acetylcholine-induced inhibition of contraction of guinea pig ileum which has Muscarinic acetylcholine receptor M2 sub...


J Med Chem 32: 968-74 (1989)


Article DOI: 10.1021/jm00125a008
BindingDB Entry DOI: 10.7270/Q2XG9TBN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM83450
PNG
(ALFENTANIL | Alfentanil hydrochloride | MLS0023206...)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
Show InChI InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Anaquest, Inc.

Curated by ChEMBL


Assay Description
In vitro binding activity against opioid receptor kappa using [3H]-EKC) as radioligand


J Med Chem 34: 827-41 (1991)


Article DOI: 10.1021/jm00106a051
BindingDB Entry DOI: 10.7270/Q2TQ60H9
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM83450
PNG
(ALFENTANIL | Alfentanil hydrochloride | MLS0023206...)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
Show InChI InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
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n/an/a>1.35E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM83450
PNG
(ALFENTANIL | Alfentanil hydrochloride | MLS0023206...)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
Show InChI InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
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n/an/a 1.12E+5n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells


Anesthesiology 96: 913-20 (2002)


Article DOI: 10.1097/00000542-200204000-00019
BindingDB Entry DOI: 10.7270/Q27D2WDT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM83450
PNG
(ALFENTANIL | Alfentanil hydrochloride | MLS0023206...)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
Show InChI InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Anaquest, Inc.

Curated by ChEMBL


Assay Description
In vitro binding activity against opioid receptor mu using [3H]-DAGO) as radioligand


J Med Chem 34: 827-41 (1991)


Article DOI: 10.1021/jm00106a051
BindingDB Entry DOI: 10.7270/Q2TQ60H9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM83450
PNG
(ALFENTANIL | Alfentanil hydrochloride | MLS0023206...)
Show SMILES CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
Show InChI InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
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PCBioAssay
n/an/an/an/a>9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00135
BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair