BindingDB logo
myBDB logout

BDBM153592 US8999975, 109

SMILES: CC(=O)c1cn(nn1)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)cc1

InChI Key: InChIKey=QQXYJESRPPCGFU-FMOKXJNGNA-N

Data: 1 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 1 hit for monomerid = 153592   
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 I


(Homo sapiens (Human))
BDBM153592
PNG
(US8999975, 109)
Show SMILES CC(=O)c1cn(nn1)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)cc1
Show InChI InChI=1/C20H22N6O2/c1-12(27)18-11-26(25-24-18)17-6-2-13(3-7-17)8-16(10-21)23-20(28)19-14-4-5-15(9-14)22-19/h2-3,6-7,11,14-16,19,22H,4-5,8-9H2,1H3,(H,23,28)/t14-,15+,16-,19-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 25n/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