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BDBM50195250 CHEMBL3906771

SMILES: N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N

InChI Key: InChIKey=BYOFYTPXWXWPLL-PUKFJJHONA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50195250   
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))
BDBM50195250
PNG
(CHEMBL3906771)
Show SMILES N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1/C22H22N4O/c23-13-16-6-10-18(11-7-16)17-8-4-15(5-9-17)12-19(14-24)26-22(27)20-2-1-3-21(20)25/h4-11,19-21H,1-3,12,25H2,(H,26,27)/t19-,20+,21-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50195250
PNG
(CHEMBL3906771)
Show SMILES N[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1/C22H22N4O/c23-13-16-6-10-18(11-7-16)17-8-4-15(5-9-17)12-19(14-24)26-22(27)20-2-1-3-21(20)25/h4-11,19-21H,1-3,12,25H2,(H,26,27)/t19-,20+,21-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED

Curated by ChEMBL


Assay Description
Inhibition of DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay


J Med Chem 59: 9457-9472 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01127
BindingDB Entry DOI: 10.7270/Q2Z321K4
More data for this
Ligand-Target Pair