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BDBM107106 US8592371, 7::US9278976, (3S,5R)-5-[2-(cyclopropanesulfonyl)-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]-2-(2,5-difluorophenyl)oxan-3-amine

SMILES: N[C@H]1C[C@H](COC1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1

InChI Key: InChIKey=MOXGYTJGIKCZID-XHNGYCAMSA-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 = 107106   
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))
BDBM107106
PNG
(US8592371, 7 | US9278976, (3S,5R)-5-[2-(cyclopropa...)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C19H22F2N4O3S/c20-12-1-4-16(21)15(5-12)19-17(22)6-13(10-28-19)24-7-11-8-25(23-18(11)9-24)29(26,27)14-2-3-14/h1,4-5,8,13-14,17,19H,2-3,6-7,9-10,22H2/t13-,17+,19?/m1/s1
PDB
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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/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))
BDBM107106
PNG
(US8592371, 7 | US9278976, (3S,5R)-5-[2-(cyclopropa...)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C19H22F2N4O3S/c20-12-1-4-16(21)15(5-12)19-17(22)6-13(10-28-19)24-7-11-8-25(23-18(11)9-24)29(26,27)14-2-3-14/h1,4-5,8,13-14,17,19H,2-3,6-7,9-10,22H2/t13-,17+,19?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/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