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BDBM150245 US8980929, Example Compound 13

SMILES: CC1(CC1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F

InChI Key: InChIKey=OYGXGJMMFOYYGA-FCTBLDOUNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 150245   
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 (DPP4)


(Homo sapiens (human))
BDBM150245
PNG
(US8980929, Example Compound 13)
Show SMILES CC1(CC1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1/C21H26F2N4O3S/c1-21(5-6-21)31(28,29)27-11-13-10-26(12-19(13)25-27)15-4-7-30-20(18(24)9-15)16-8-14(22)2-3-17(16)23/h2-3,8,11,15,18,20H,4-7,9-10,12,24H2,1H3/t15-,18-,20+/s2
PDB
MMDB

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PC sid
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Similars

US Patent
n/an/a 8.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


Citation and Details
More data for this
Ligand-Target Pair