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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 1' AND taxid = 9913   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 1


(Bos taurus)
BDBM123781
PNG
(3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- phenyl...)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(ccc2c1=O)C(N)=O
Show InChI InChI=1S/C21H23N3O2/c1-13(2)12-24-18(11-22)19(14-6-4-3-5-7-14)17-10-15(20(23)25)8-9-16(17)21(24)26/h3-10,13H,11-12,22H2,1-2H3,(H2,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine spleen capthepsin C


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Bos taurus)
BDBM123780
PNG
(2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(OCC(N)=O)ccc2c1=O
Show InChI InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine spleen capthepsin C


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Bos taurus)
BDBM50350582
PNG
(CHEMBL1812910)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(\C=C\C(N)=O)ccc2c1=O
Show InChI InChI=1S/C23H25N3O2/c1-15(2)14-26-20(13-24)22(17-6-4-3-5-7-17)19-12-16(9-11-21(25)27)8-10-18(19)23(26)28/h3-12,15H,13-14,24H2,1-2H3,(H2,25,27)/b11-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.70E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine spleen capthepsin C


Citation and Details
More data for this
Ligand-Target Pair