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BDBM11582 1c-meta-Cl::5-(aminomethyl)-2-(3-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine::Aminomethylpyrimidine 1cd

SMILES: NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1cccc(Cl)c1

InChI Key: InChIKey=VWTHRSJZPYHTKN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11582   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11582
PNG
(1c-meta-Cl | 5-(aminomethyl)-2-(3-chlorophenyl)-6-...)
Show SMILES NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H13Cl3N4/c18-10-3-1-2-9(6-10)17-23-15(13(8-21)16(22)24-17)12-5-4-11(19)7-14(12)20/h1-7H,8,21H2,(H2,22,23,24)
PDB
MMDB

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Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Hoffmann-La Roche Inc.



Assay Description
DPP-IV inhibitors were measured for their ability to inhibit DPP-IV mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic a...


Bioorg Med Chem Lett 14: 1491-3 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.019
BindingDB Entry DOI: 10.7270/Q22B8W7M
More data for this
Ligand-Target Pair