BindingDB logo
myBDB logout

BDBM107103 US8592371, 5::US9278976, (3S,5R)-5-[2-(cyclopentanesulfonyl)-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)C1CCCC1

InChI Key: InChIKey=QYUWWVKKEPRUDZ-AJYIIGQXSA-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 = 107103   
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))
BDBM107103
PNG
(US8592371, 5 | US9278976, (3S,5R)-5-[2-(cyclopenta...)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)c(F)cc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C21H25F3N4O3S/c22-16-7-18(24)17(23)6-15(16)21-19(25)5-13(11-31-21)27-8-12-9-28(26-20(12)10-27)32(29,30)14-3-1-2-4-14/h6-7,9,13-14,19,21H,1-5,8,10-11,25H2/t13-,19+,21?/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 1.30n/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))
BDBM107103
PNG
(US8592371, 5 | US9278976, (3S,5R)-5-[2-(cyclopenta...)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)c(F)cc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C21H25F3N4O3S/c22-16-7-18(24)17(23)6-15(16)21-19(25)5-13(11-31-21)27-8-12-9-28(26-20(12)10-27)32(29,30)14-3-1-2-4-14/h6-7,9,13-14,19,21H,1-5,8,10-11,25H2/t13-,19+,21?/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 1.30n/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