BindingDB PrimarySearch

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 83450
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM83450 (ALFENTANIL \| Alfentanil hydrochloride \| MLS0023206...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Anaquest Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM83450 (ALFENTANIL \| Alfentanil hydrochloride \| MLS0023206...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Anaquest Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM83450 (ALFENTANIL \| Alfentanil hydrochloride \| MLS0023206...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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
Anaquest, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM83450 (ALFENTANIL \| Alfentanil hydrochloride \| MLS0023206...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.35E+5	n/a	n/a	n/a	n/a	n/a	n/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
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM83450 (ALFENTANIL \| Alfentanil hydrochloride \| MLS0023206...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/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
Vanderbilt University Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM83450 (ALFENTANIL \| Alfentanil hydrochloride \| MLS0023206...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/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
Anaquest, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM83450 (ALFENTANIL \| Alfentanil hydrochloride \| MLS0023206...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair