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3 similar compounds to monomer 50000222

Compile data set for download or QSAR
Wt: 523.4
BDBM50000186
Wt: 423.4
BDBM50000199
Wt: 491.4
BDBM50000237

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50000186,50000199,50000237   
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
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

Article
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


J Med Chem 35: 438-50 (1992)


Article DOI: 10.1021/jm00081a004
BindingDB Entry DOI: 10.7270/Q2ZG6R5R
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

Article
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


J Med Chem 35: 438-50 (1992)


Article DOI: 10.1021/jm00081a004
BindingDB Entry DOI: 10.7270/Q2ZG6R5R
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

Article
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


J Med Chem 35: 438-50 (1992)


Article DOI: 10.1021/jm00081a004
BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair