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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.4
BDBM153533

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
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


(Homo sapiens (Human))
BDBM153533
PNG
(BDBM153612 | US8999975, 50)
Show SMILES O[C@H]1C[C@H]2C[C@@H]1N[C@@H]2C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(C#N)c(F)c1)C#N |r|
Show InChI InChI=1S/C23H21FN4O2/c24-19-8-15(5-6-16(19)11-25)14-3-1-13(2-4-14)7-18(12-26)27-23(30)22-17-9-20(28-22)21(29)10-17/h1-6,8,17-18,20-22,28-29H,7,9-10H2,(H,27,30)/t17-,18+,20+,21+,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13n/an/an/an/a6.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8999975 (2015)


BindingDB Entry DOI: 10.7270/Q22806BZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM153533
PNG
(BDBM153612 | US8999975, 50)
Show SMILES O[C@H]1C[C@H]2C[C@@H]1N[C@@H]2C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(C#N)c(F)c1)C#N |r|
Show InChI InChI=1S/C23H21FN4O2/c24-19-8-15(5-6-16(19)11-25)14-3-1-13(2-4-14)7-18(12-26)27-23(30)22-17-9-20(28-22)21(29)10-17/h1-6,8,17-18,20-22,28-29H,7,9-10H2,(H,27,30)/t17-,18+,20+,21+,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 14n/an/an/an/a6.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...


US Patent US8999975 (2015)


BindingDB Entry DOI: 10.7270/Q22806BZ
More data for this
Ligand-Target Pair