BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 365.4
BDBM153597

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))
BDBM153597
PNG
(US8999975, 114 | US8999975, 116)
Show SMILES CCc1nc(no1)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)cc1 |r|
Show InChI InChI=1S/C20H23N5O2/c1-2-17-24-19(25-27-17)13-5-3-12(4-6-13)9-16(11-21)23-20(26)18-14-7-8-15(10-14)22-18/h3-6,14-16,18,22H,2,7-10H2,1H3,(H,23,26)/t14-,15+,16-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 46n/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))
BDBM153597
PNG
(US8999975, 114 | US8999975, 116)
Show SMILES CCc1nc(no1)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)cc1 |r|
Show InChI InChI=1S/C20H23N5O2/c1-2-17-24-19(25-27-17)13-5-3-12(4-6-13)9-16(11-21)23-20(26)18-14-7-8-15(10-14)22-18/h3-6,14-16,18,22H,2,7-10H2,1H3,(H,23,26)/t14-,15+,16-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 64n/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