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BDBM107099 US8592371, 1::US9278976, (3S,5R)-2-(2,5-difluorophenyl)-5-{2-methanesulfonyl-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl}oxan-3-amine

SMILES: CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1COC([C@@H](N)C1)c1cc(F)ccc1F

InChI Key: InChIKey=MKMPWKUAHLTIBJ-AIMZMQLPSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 107099   
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))
BDBM107099
PNG
(US8592371, 1 | US9278976, (3S,5R)-2-(2,5-difluorop...)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1COC([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17?/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.5n/an/an/an/a7.525



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...


US Patent US9278976 (2016)


BindingDB Entry DOI: 10.7270/Q2PC316V
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM107099
PNG
(US8592371, 1 | US9278976, (3S,5R)-2-(2,5-difluorop...)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1COC([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.5n/an/an/an/an/an/a



Merck Sharpe & Dohme Corp.

US Patent


Assay Description
Enzyme assay using dipeptidyl peptidase-IV.


US Patent US8592371 (2013)


BindingDB Entry DOI: 10.7270/Q2DF6PVK
More data for this
Ligand-Target Pair