BindingDB logo
myBDB logout

PubMed code 1310742

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000227
PNG
(2-[4-(4-Fluoro-benzyloxy)-pyridin-2-ylmethanesulfi...)
Show SMILES Fc1ccc(COc2ccnc(CS(=O)c3nc4cscc4[nH]3)c2)cc1
Show InChI InChI=1S/C18H14FN3O2S2/c19-13-3-1-12(2-4-13)8-24-15-5-6-20-14(7-15)11-26(23)18-21-16-9-25-10-17(16)22-18/h1-7,9-10H,8,11H2,(H,21,22)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 500n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


Citation and Details
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000259
PNG
(2-[4-(2,2,3,3,4,4,5,5-Octafluoro-pentyloxy)-pyridi...)
Show SMILES FC(F)C(F)(F)C(F)(F)C(F)(F)COc1ccnc(CS(=O)c2nc3cscc3[nH]2)c1
Show InChI InChI=1S/C16H11F8N3O2S2/c17-12(18)15(21,22)16(23,24)14(19,20)7-29-9-1-2-25-8(3-9)6-31(28)13-26-10-4-30-5-11(10)27-13/h1-5,12H,6-7H2,(H,26,27)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


Citation and Details
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000211
PNG
(4,6-Dimethyl-2-[4-(2,2,2-trifluoro-ethoxy)-pyridin...)
Show SMILES Cc1sc(C)c2[nH]c(nc12)S(=O)Cc1cc(OCC(F)(F)F)ccn1
Show InChI InChI=1S/C15H14F3N3O2S2/c1-8-12-13(9(2)24-8)21-14(20-12)25(22)6-10-5-11(3-4-19-10)23-7-15(16,17)18/h3-5H,6-7H2,1-2H3,(H,20,21)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


Citation and Details
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000199
PNG
(2-[3-Methoxy-4-(2,2,3,3-tetrafluoro-propoxy)-pyrid...)
Show SMILES COc1c(OCC(F)(F)C(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1
Show InChI InChI=1S/C15H13F4N3O3S2/c1-24-12-10(6-27(23)14-21-8-4-26-5-9(8)22-14)20-3-2-11(12)25-7-15(18,19)13(16)17/h2-5,13H,6-7H2,1H3,(H,21,22)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


Citation and Details
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000222
PNG
(2-[3-Methoxy-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-...)
Show SMILES COc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1
Show InChI InChI=1S/C14H12F3N3O3S2/c1-22-12-10(18-3-2-11(12)23-7-14(15,16)17)6-25(21)13-19-8-4-24-5-9(8)20-13/h2-5H,6-7H2,1H3,(H,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


Citation and Details
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000237
PNG
(2-[4-(2,2,3,3,4,4,4-Heptafluoro-butoxy)-3-methoxy-...)
Show SMILES COc1c(OCC(F)(F)C(F)(F)C(F)(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1
Show InChI InChI=1S/C16H12F7N3O3S2/c1-28-12-10(6-31(27)13-25-8-4-30-5-9(8)26-13)24-3-2-11(12)29-7-14(17,18)15(19,20)16(21,22)23/h2-5H,6-7H2,1H3,(H,25,26)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


Citation and Details
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000186
PNG
(2-[3-Methoxy-4-(2,2,3,3,4,4,5,5-octafluoro-pentylo...)
Show SMILES COc1c(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1
Show InChI InChI=1S/C17H13F8N3O3S2/c1-30-12-10(6-33(29)14-27-8-4-32-5-9(8)28-14)26-3-2-11(12)31-7-15(20,21)17(24,25)16(22,23)13(18)19/h2-5,13H,6-7H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%