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2 similar compounds to monomer 50408793

Compile data set for download or QSAR
Wt: 151.1
BDBM50408790
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Wt: 179.2
BDBM50408795
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50408790,50408795   
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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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

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
Trypsin-1


(Homo sapiens (Human))
BDBM50408795
PNG
(CHEMBL357501)
Show SMILES CCOC(=O)c1ccc(CN)cc1
Show InChI InChI=1S/C10H13NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2.80E+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