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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Chymotrypsin-like elastase family member 2A' and Ligand = 'BDBM50036479'   
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-like elastase family member 2A


(Sus scrofa)
BDBM50036479
PNG
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)
Show SMILES O=C1N(CSc2nnnn2-c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C15H11N5O3S2/c21-14-12-8-4-5-9-13(12)25(22,23)19(14)10-24-15-16-17-18-20(15)11-6-2-1-3-7-11/h1-9H,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
62n/an/an/an/an/a 240n/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding constant Ki=Kon/Koff


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50036479
PNG
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)
Show SMILES O=C1N(CSc2nnnn2-c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C15H11N5O3S2/c21-14-12-8-4-5-9-13(12)25(22,23)19(14)10-24-15-16-17-18-20(15)11-6-2-1-3-7-11/h1-9H,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/an/an/an/an/a 240n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase


Bioorg Med Chem Lett 6: 2941-2946 (1996)


Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W
More data for this
Ligand-Target Pair