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BDBM11966 (3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl]butan-1-one::thiazolopiperidine 68

SMILES: N[C@@H](CC(=O)N1CCc2nc(sc2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F

InChI Key: InChIKey=LRGMUQFAJNIPGS-AGDOHHJYNA-N

Data: 4 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 4 hits for monomerid = 11966   
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))
BDBM11966
PNG
((3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluoro...)
Show SMILES N[C@@H](CC(=O)N1CCc2nc(sc2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F
Show InChI InChI=1/C22H20F3N3OS/c23-15-3-1-13(2-4-15)22-27-19-7-8-28(12-20(19)30-22)21(29)11-17(26)10-14-9-16(24)5-6-18(14)25/h1-6,9,17H,7-8,10-12,26H2/t17-/s2
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 15: 2253-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.012
BindingDB Entry DOI: 10.7270/Q2445JQ5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM11966
PNG
((3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluoro...)
Show SMILES N[C@@H](CC(=O)N1CCc2nc(sc2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F
Show InChI InChI=1/C22H20F3N3OS/c23-15-3-1-13(2-4-15)22-27-19-7-8-28(12-20(19)30-22)21(29)11-17(26)10-14-9-16(24)5-6-18(14)25/h1-6,9,17H,7-8,10-12,26H2/t17-/s2
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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 15: 2253-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.012
BindingDB Entry DOI: 10.7270/Q2445JQ5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM11966
PNG
((3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluoro...)
Show SMILES N[C@@H](CC(=O)N1CCc2nc(sc2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F
Show InChI InChI=1/C22H20F3N3OS/c23-15-3-1-13(2-4-15)22-27-19-7-8-28(12-20(19)30-22)21(29)11-17(26)10-14-9-16(24)5-6-18(14)25/h1-6,9,17H,7-8,10-12,26H2/t17-/s2
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 15: 2253-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.012
BindingDB Entry DOI: 10.7270/Q2445JQ5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11966
PNG
((3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluoro...)
Show SMILES N[C@@H](CC(=O)N1CCc2nc(sc2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F
Show InChI InChI=1/C22H20F3N3OS/c23-15-3-1-13(2-4-15)22-27-19-7-8-28(12-20(19)30-22)21(29)11-17(26)10-14-9-16(24)5-6-18(14)25/h1-6,9,17H,7-8,10-12,26H2/t17-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 15: 2253-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.012
BindingDB Entry DOI: 10.7270/Q2445JQ5
More data for this
Ligand-Target Pair