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Articleid 50030117

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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-C


(Homo sapiens (Human))
BDBM50291321
PNG
(CHEMBL163002 | {1-[1-(1-Benzyl-2-oxo-ethylcarbamoy...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C23H27N3O5/c1-16(22(29)26-20(14-27)13-18-9-5-3-6-10-18)24-21(28)17(2)25-23(30)31-15-19-11-7-4-8-12-19/h3-12,14,16-17,20H,13,15H2,1-2H3,(H,24,28)(H,25,30)(H,26,29)/t16-,17-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of alpha-Chymotrypsin, activity expressed as Ki


Bioorg Med Chem Lett 7: 705-710 (1997)


Article DOI: 10.1016/S0960-894X(97)00091-7
BindingDB Entry DOI: 10.7270/Q2ZW1KXS
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))
BDBM50291321
PNG
(CHEMBL163002 | {1-[1-(1-Benzyl-2-oxo-ethylcarbamoy...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C23H27N3O5/c1-16(22(29)26-20(14-27)13-18-9-5-3-6-10-18)24-21(28)17(2)25-23(30)31-15-19-11-7-4-8-12-19/h3-12,14,16-17,20H,13,15H2,1-2H3,(H,24,28)(H,25,30)(H,26,29)/t16-,17-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 950n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of alpha-Chymotrypsin, activity expressed as IC50


Bioorg Med Chem Lett 7: 705-710 (1997)


Article DOI: 10.1016/S0960-894X(97)00091-7
BindingDB Entry DOI: 10.7270/Q2ZW1KXS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%