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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 = 'BDBM50199883'   
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


(Rattus norvegicus)
BDBM50199883
PNG
(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Show SMILES Clc1oc(=O)c2ccccc2c1Cl
Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
KEGG

UniProtKB/SwissProt

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CHEMBL
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MCE
PC cid
PC sid
PDB
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Patents

Article
n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE)


Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50199883
PNG
(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Show SMILES Clc1oc(=O)c2ccccc2c1Cl
Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Article
n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)


Bioorg Med Chem Lett 3: 2547-2552 (1993)


Article DOI: 10.1016/S0960-894X(01)80714-9
BindingDB Entry DOI: 10.7270/Q2CV4HNW
More data for this
Ligand-Target Pair