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SMILES: [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F

InChI Key: InChIKey=XTAFGJNJWKVLFD-HZMBPMFUSA-N

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 = 50096874   
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))
BDBM50096874
PNG
(CHEMBL3580775)
Show SMILES [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F |r|
Show InChI InChI=1S/C18H18F5N5O/c19-12-5-9-1-2-10(11(9)6-13(12)20)14(24)7-16(29)27-3-4-28-15(8-27)25-26-17(28)18(21,22)23/h5-6,10,14H,1-4,7-8,24H2/t10-,14-/m0/s1
PDB
MMDB

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n/an/a 11n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 extracted from human Caco2 cells using H-Gly-Pro-AMC substrate after 10 mins by fluorescence assay


ACS Med Chem Lett 6: 602-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00074
BindingDB Entry DOI: 10.7270/Q22J6DM2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50096874
PNG
(CHEMBL3580775)
Show SMILES [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F |r|
Show InChI InChI=1S/C18H18F5N5O/c19-12-5-9-1-2-10(11(9)6-13(12)20)14(24)7-16(29)27-3-4-28-15(8-27)25-26-17(28)18(21,22)23/h5-6,10,14H,1-4,7-8,24H2/t10-,14-/m0/s1
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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


ACS Med Chem Lett 6: 602-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00074
BindingDB Entry DOI: 10.7270/Q22J6DM2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50096874
PNG
(CHEMBL3580775)
Show SMILES [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F |r|
Show InChI InChI=1S/C18H18F5N5O/c19-12-5-9-1-2-10(11(9)6-13(12)20)14(24)7-16(29)27-3-4-28-15(8-27)25-26-17(28)18(21,22)23/h5-6,10,14H,1-4,7-8,24H2/t10-,14-/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 using H-Gly-Pro-AMC substrate after 10 mins by fluorescence assay


ACS Med Chem Lett 6: 602-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00074
BindingDB Entry DOI: 10.7270/Q22J6DM2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50096874
PNG
(CHEMBL3580775)
Show SMILES [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F |r|
Show InChI InChI=1S/C18H18F5N5O/c19-12-5-9-1-2-10(11(9)6-13(12)20)14(24)7-16(29)27-3-4-28-15(8-27)25-26-17(28)18(21,22)23/h5-6,10,14H,1-4,7-8,24H2/t10-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 using H-Gly-Pro-AMC substrate after 10 mins by fluorescence assay


ACS Med Chem Lett 6: 602-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00074
BindingDB Entry DOI: 10.7270/Q22J6DM2
More data for this
Ligand-Target Pair