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Compile Data Set for Download or QSAR

Found 4 hits of ph data with Target = 'Chymotrypsinogen B'   
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
Chymotrypsinogen B


(Homo sapiens)
BDBM50287589
PNG
((S)-3-Acetylamino-2,2-difluoro-4-phenyl-butyric ac...)
Show SMILES COC(=O)C(F)(F)[C@H](Cc1ccccc1)NC(C)=O
Show InChI InChI=1S/C13H15F2NO3/c1-9(17)16-11(13(14,15)12(18)19-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,16,17)/t11-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
3.40E+4n/an/an/an/an/an/a7.8n/a



TBA

Curated by ChEMBL


Assay Description
Reversible inhibitory activity of the compound toward alpha-chymotrypsin (5 nM concentration) at a pH of 7.8 by progress curve method.


Bioorg Med Chem Lett 6: 1875-1880 (1996)


Article DOI: 10.1016/0960-894X(96)00342-3
BindingDB Entry DOI: 10.7270/Q2BG2P0K
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50287590
PNG
(CHEMBL291936 | N-((S)-1-Benzyl-2,2-difluoro-but-3-...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(F)(F)C=C
Show InChI InChI=1S/C13H15F2NO/c1-3-13(14,15)12(16-10(2)17)9-11-7-5-4-6-8-11/h3-8,12H,1,9H2,2H3,(H,16,17)/t12-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
4.60E+5n/an/an/an/an/an/a7.8n/a



TBA

Curated by ChEMBL


Assay Description
Reversible inhibitory activity of the compound toward alpha-chymotrypsin (5 nM concentration) at a pH of 7.8 by progress curve method.


Bioorg Med Chem Lett 6: 1875-1880 (1996)


Article DOI: 10.1016/0960-894X(96)00342-3
BindingDB Entry DOI: 10.7270/Q2BG2P0K
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50287591
PNG
((S)-3-Acetylamino-2-fluoro-4-phenyl-butyric acid m...)
Show SMILES COC(=O)C(F)[C@H](Cc1ccccc1)NC(C)=O
Show InChI InChI=1S/C13H16FNO3/c1-9(16)15-11(12(14)13(17)18-2)8-10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3,(H,15,16)/t11-,12?/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
6.44E+6n/an/an/an/an/an/a7.8n/a



TBA

Curated by ChEMBL


Assay Description
Reversible inhibitory activity of the compound toward alpha-chymotrypsin (5 nM concentration) at a pH of 7.8 by progress curve method.


Bioorg Med Chem Lett 6: 1875-1880 (1996)


Article DOI: 10.1016/0960-894X(96)00342-3
BindingDB Entry DOI: 10.7270/Q2BG2P0K
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50287591
PNG
((S)-3-Acetylamino-2-fluoro-4-phenyl-butyric acid m...)
Show SMILES COC(=O)C(F)[C@H](Cc1ccccc1)NC(C)=O
Show InChI InChI=1S/C13H16FNO3/c1-9(16)15-11(12(14)13(17)18-2)8-10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3,(H,15,16)/t11-,12?/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
1.91E+7n/an/an/an/an/an/a7.8n/a



TBA

Curated by ChEMBL


Assay Description
Reversible inhibitory activity of the compound toward alpha-chymotrypsin (5 nM concentration) at a pH of 7.8 by progress curve method.


Bioorg Med Chem Lett 6: 1875-1880 (1996)


Article DOI: 10.1016/0960-894X(96)00342-3
BindingDB Entry DOI: 10.7270/Q2BG2P0K
More data for this
Ligand-Target Pair