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BDBM50075336 2-(2,6-Diisopropyl-phenyl)-4,5,6,7-tetrafluoro-isoindole-1,3-dithione::CHEMBL153037

SMILES: CC(C)c1cccc(C(C)C)c1N1C(=S)c2c(C1=S)c(F)c(F)c(F)c2F

InChI Key: InChIKey=VLHNOWFMGMZKJD-UHFFFAOYSA-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 = 50075336   
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))
BDBM50075336
PNG
(2-(2,6-Diisopropyl-phenyl)-4,5,6,7-tetrafluoro-iso...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=S)c2c(C1=S)c(F)c(F)c(F)c2F
Show InChI InChI=1S/C20H17F4NS2/c1-8(2)10-6-5-7-11(9(3)4)18(10)25-19(26)12-13(20(25)27)15(22)17(24)16(23)14(12)21/h5-9H,1-4H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 15n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) in human acute lymphoblastic leukemia MOLT-4 cell line


Bioorg Med Chem Lett 9: 559-62 (1999)


BindingDB Entry DOI: 10.7270/Q2ZW1MFX
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50075336
PNG
(2-(2,6-Diisopropyl-phenyl)-4,5,6,7-tetrafluoro-iso...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=S)c2c(C1=S)c(F)c(F)c(F)c2F
Show InChI InChI=1S/C20H17F4NS2/c1-8(2)10-6-5-7-11(9(3)4)18(10)25-19(26)12-13(20(25)27)15(22)17(24)16(23)14(12)21/h5-9H,1-4H3
PDB

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PC sid
UniChem
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase N (APN) in human acute lymphoblastic leukemia MOLT-4 cell line


Bioorg Med Chem Lett 9: 559-62 (1999)


BindingDB Entry DOI: 10.7270/Q2ZW1MFX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50075336
PNG
(2-(2,6-Diisopropyl-phenyl)-4,5,6,7-tetrafluoro-iso...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=S)c2c(C1=S)c(F)c(F)c(F)c2F
Show InChI InChI=1S/C20H17F4NS2/c1-8(2)10-6-5-7-11(9(3)4)18(10)25-19(26)12-13(20(25)27)15(22)17(24)16(23)14(12)21/h5-9H,1-4H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 3.67E+4n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) in human acute lymphoblastic leukemia MOLT-4 cell line


Bioorg Med Chem Lett 9: 559-62 (1999)


BindingDB Entry DOI: 10.7270/Q2ZW1MFX
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50075336
PNG
(2-(2,6-Diisopropyl-phenyl)-4,5,6,7-tetrafluoro-iso...)
Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=S)c2c(C1=S)c(F)c(F)c(F)c2F
Show InChI InChI=1S/C20H17F4NS2/c1-8(2)10-6-5-7-11(9(3)4)18(10)25-19(26)12-13(20(25)27)15(22)17(24)16(23)14(12)21/h5-9H,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 9.84E+4n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase N (APN) in human acute lymphoblastic leukemia MOLT-4 cell line


Bioorg Med Chem Lett 9: 559-62 (1999)


BindingDB Entry DOI: 10.7270/Q2ZW1MFX
More data for this
Ligand-Target Pair