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SMILES: COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)c(OC)cc3[nH]2)c1C

InChI Key: InChIKey=KAUGJJICAPARHM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230613   
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/subunit beta


(Homo sapiens (Human))		BDBM50230613
PNG
(CHEMBL9427)
Show SMILES COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)c(OC)cc3[nH]2)c1C
Show InChI InChI=1S/C17H17F2N3O4S/c1-9-12(20-5-4-13(9)24-2)8-27(23)17-21-10-6-14(25-3)15(26-16(18)19)7-11(10)22-17/h4-7,16H,8H2,1-3H3,(H,21,22)
PDB

KEGG

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PC cid
PC sid
UniChem
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



Byk Gulden Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro evaluation for the inhibition of H+/K+ ATPase at pH < 3 in the gastric glands of isolated rabbit stomach.

J Med Chem 35: 1049-57 (1992)


BindingDB Entry DOI: 10.7270/Q2QJ7KJH
More data for this
Ligand-Target Pair