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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsin' and Ligand = 'BDBM50405205'   
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
Chymotrypsin


(Homo sapiens (Human))
BDBM50405205
PNG
(CHEMBL416495)
Show SMILES Oc1cc(CC(=O)c2ccccc2)oc(=O)c1
Show InChI InChI=1S/C13H10O4/c14-10-6-11(17-13(16)7-10)8-12(15)9-4-2-1-3-5-9/h1-7,14H,8H2
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
5.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair