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BDBM107105 US8592371, 8::US9278976, (3S,5R)-5-[2-(cyclopropanesulfonyl)-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]-2-(2,4,5-trifluorophenyl)oxan-3-amine

SMILES: N[C@H]1C[C@H](COC1c1cc(F)c(F)cc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1

InChI Key: InChIKey=AWJGMPKHYSURMN-HCUPATASSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 107105   
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))
BDBM107105
PNG
(US8592371, 8 | US9278976, (3S,5R)-5-[2-(cyclopropa...)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)c(F)cc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C19H21F3N4O3S/c20-14-5-16(22)15(21)4-13(14)19-17(23)3-11(9-29-19)25-6-10-7-26(24-18(10)8-25)30(27,28)12-1-2-12/h4-5,7,11-12,17,19H,1-3,6,8-9,23H2/t11-,17+,19?/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/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))
BDBM107105
PNG
(US8592371, 8 | US9278976, (3S,5R)-5-[2-(cyclopropa...)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)c(F)cc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C19H21F3N4O3S/c20-14-5-16(22)15(21)4-13(14)19-17(23)3-11(9-29-19)25-6-10-7-26(24-18(10)8-25)30(27,28)12-1-2-12/h4-5,7,11-12,17,19H,1-3,6,8-9,23H2/t11-,17+,19?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/an/an/an/an/an/a



Merck Sharpe & Dohme Corp.

US Patent


Assay Description
Enzyme assay using dipeptidyl peptidase-IV.


Citation and Details
More data for this
Ligand-Target Pair