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BDBM150240 US8980929, Example Compound 14::US8980929, Example Compound 8

SMILES: CC1(CC1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F

InChI Key: InChIKey=TWFBZRZOOKTCAT-YHJVDBJQSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 150240   
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))
BDBM150240
PNG
(US8980929, Example Compound 14 | US8980929, Exampl...)
Show SMILES CC1(CC1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H25F3N4O3S/c1-21(3-4-21)32(29,30)28-10-12-9-27(11-19(12)26-28)13-2-5-31-20(18(25)6-13)14-7-16(23)17(24)8-15(14)22/h7-8,10,13,18,20H,2-6,9,11,25H2,1H3/t13-,18-,20+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 12.6n/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...


US Patent US8980929 (2015)


BindingDB Entry DOI: 10.7270/Q2MK6BMJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM150240
PNG
(US8980929, Example Compound 14 | US8980929, Exampl...)
Show SMILES CC1(CC1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H25F3N4O3S/c1-21(3-4-21)32(29,30)28-10-12-9-27(11-19(12)26-28)13-2-5-31-20(18(25)6-13)14-7-16(23)17(24)8-15(14)22/h7-8,10,13,18,20H,2-6,9,11,25H2,1H3/t13-,18-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 4n/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...


US Patent US8980929 (2015)


BindingDB Entry DOI: 10.7270/Q2MK6BMJ
More data for this
Ligand-Target Pair