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Patent code US9315508

Compile Data Set for Download or QSAR
Found 3 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
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222958
PNG
(US9315508, 3)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H]([C@@H]2C[C@H]12)c1cc(F)ccc1F
Show InChI InChI=1S/C19H22F2N4O2S/c1-28(26,27)25-8-10-7-24(9-17(10)23-25)18-6-16(22)19(13-5-12(13)18)14-4-11(20)2-3-15(14)21/h2-4,8,12-13,16,18-19H,5-7,9,22H2,1H3/t12-,13+,16-,18+,19+/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.40n/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
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222957
PNG
(US9315508, 2)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H]([C@H]2CC12)c1cc(F)ccc1F
Show InChI InChI=1S/C19H22F2N4O2S/c1-28(26,27)25-8-10-7-24(9-17(10)23-25)18-6-16(22)19(13-5-12(13)18)14-4-11(20)2-3-15(14)21/h2-4,8,12-13,16,18-19H,5-7,9,22H2,1H3/t12?,13-,16-,18+,19+/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 9n/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
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM222956
PNG
(US9315508, 1)
Show SMILES N[C@H]1CC(N2Cc3c[nH]nc3C2)c2ccccc2[C@@H]1c1cc(F)ccc1F
Show InChI InChI=1S/C21H20F2N4/c22-13-5-6-17(23)16(7-13)21-15-4-2-1-3-14(15)20(8-18(21)24)27-10-12-9-25-26-19(12)11-27/h1-7,9,18,20-21H,8,10-11,24H2,(H,25,26)/t18-,20?,21+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/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
* indicates data uncertainty>20%