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BDBM50408790 CHEMBL328875

SMILES: NCc1ccc(cc1)C(O)=O

InChI Key: InChIKey=QCTBMLYLENLHLA-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50408790   
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
Trypsin-1


(Homo sapiens (Human))
BDBM50408790
PNG
(CHEMBL328875)
Show SMILES NCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)
PDB
MMDB

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Similars

Article
PubMed
2.00E+9n/an/an/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of trypsin


J Med Chem 42: 5169-80 (2000)


Article DOI: 10.1021/jm9910728
BindingDB Entry DOI: 10.7270/Q2930VD5
More data for this
Ligand-Target Pair