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BDBM50008984 4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-phthalazin-1-one::CHEMBL596::Duragesic-100::Duragesic-12::Duragesic-25::Duragesic-50::Duragesic-75::FENTANYL::FENTANYL CITRATE::FENTANYL-HCl::Fentanyl-100::Fentanyl-12::Fentanyl-25::Fentanyl-50::Fentanyl-75::Fentora::Innovar::Ionsys::N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionamide::N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionamide(Fentanyl)::N-(1-phenethylpiperidin-4-yl)-N-phenylpropionamide

SMILES: CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1

InChI Key: InChIKey=PJMPHNIQZUBGLI-UHFFFAOYSA-N

Data: 38 KI  24 IC50  4 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 2 hits for monomerid = 50008984   
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
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50008978
PNG
((+/-)-(2-Methyl-8-phenyl-7,8-dihydro-6H-9-oxa-1,3a...)
Show SMILES Cc1nc2c3OC(CCc3ccn2c1CC#N)c1ccccc1
Show InChI InChI=1S/C19H17N3O/c1-13-16(9-11-20)22-12-10-15-7-8-17(14-5-3-2-4-6-14)23-18(15)19(22)21-13/h2-6,10,12,17H,7-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 92n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of purified H+/K+ ATPase at pH 7.4 as released inorganic phosphate from ATP using hog stomach gastric membrane vesicles


J Med Chem 40: 427-36 (1997)

More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50008978
PNG
((+/-)-(2-Methyl-8-phenyl-7,8-dihydro-6H-9-oxa-1,3a...)
Show SMILES Cc1nc2c3OC(CCc3ccn2c1CC#N)c1ccccc1
Show InChI InChI=1S/C19H17N3O/c1-13-16(9-11-20)22-12-10-15-7-8-17(14-5-3-2-4-6-14)23-18(15)19(22)21-13/h2-6,10,12,17H,7-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of H+/K+ ATPase as reduced acid formation in rabbit gastric glands


J Med Chem 40: 427-36 (1997)

More data for this
Ligand-Target Pair