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BDBM50191831 5-(4-fluoro-3-methylphenyl)-2-methoxy-4-(4-(4-methyl-1H-imidazol-5-yl)piperidin-1-yl)pyrimidine::CHEMBL217698

SMILES: COc1ncc(-c2ccc(F)c(C)c2)c(n1)N1CCC(CC1)c1[nH]cnc1C

InChI Key: InChIKey=QFLBHMYSGGBXPC-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50191831   
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
Sodium/hydrogen exchanger 2


(Homo sapiens)
BDBM50191831
PNG
(5-(4-fluoro-3-methylphenyl)-2-methoxy-4-(4-(4-meth...)
Show SMILES COc1ncc(-c2ccc(F)c(C)c2)c(n1)N1CCC(CC1)c1[nH]cnc1C
Show InChI InChI=1S/C21H24FN5O/c1-13-10-16(4-5-18(13)22)17-11-23-21(28-3)26-20(17)27-8-6-15(7-9-27)19-14(2)24-12-25-19/h4-5,10-12,15H,6-9H2,1-3H3,(H,24,25)
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PC sid
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Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE2 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair
Sodium/hydrogen exchanger 1


(Homo sapiens)
BDBM50191831
PNG
(5-(4-fluoro-3-methylphenyl)-2-methoxy-4-(4-(4-meth...)
Show SMILES COc1ncc(-c2ccc(F)c(C)c2)c(n1)N1CCC(CC1)c1[nH]cnc1C
Show InChI InChI=1S/C21H24FN5O/c1-13-10-16(4-5-18(13)22)17-11-23-21(28-3)26-20(17)27-8-6-15(7-9-27)19-14(2)24-12-25-19/h4-5,10-12,15H,6-9H2,1-3H3,(H,24,25)
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NHE1 expressed in Ap1 cell line


Bioorg Med Chem Lett 16: 4796-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.077
BindingDB Entry DOI: 10.7270/Q2DN44P1
More data for this
Ligand-Target Pair