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Compile Data Set for Download or QSAR

Found 3 hits of ph data with Target = 'Chymotrypsin C'   
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))
BDBM50018175
PNG
(CHEMBL22389 | N-{1-Benzyl-2-[(pyridine-3-carbonyl)...)
Show SMILES O=C(NN=CC(Cc1ccccc1)NC(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H20N4O2/c27-21(18-10-5-2-6-11-18)25-20(14-17-8-3-1-4-9-17)16-24-26-22(28)19-12-7-13-23-15-19/h1-13,15-16,20H,14H2,(H,25,27)(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.80E+4n/an/an/an/an/an/a5.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 7.8


J Med Chem 32: 1253-9 (1989)


Article DOI: 10.1021/jm00126a018
BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin C


(Homo sapiens (human))
BDBM50018174
PNG
(CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.80E+4n/an/an/an/an/an/a5.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5.5


J Med Chem 32: 1253-9 (1989)


Article DOI: 10.1021/jm00126a018
BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin C


(Homo sapiens (human))
BDBM50018174
PNG
(CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.60E+4n/an/an/an/an/an/a7.8n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5


J Med Chem 32: 1253-9 (1989)


Article DOI: 10.1021/jm00126a018
BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair