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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50043655   
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
Cathepsin G


(Homo sapiens (Human))
BDBM50444295
PNG
(CHEMBL3093806)
Show SMILES CC(C)(C)C(=O)Oc1cn(c(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O)-c1ccccc1
Show InChI InChI=1S/C25H22N2O6S/c1-25(2,3)23(31)32-21-13-27(16-7-5-4-6-8-16)17(12-19(21)28)14-34-24-26-18-11-15(22(29)30)9-10-20(18)33-24/h4-13H,14H2,1-3H3,(H,29,30)
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Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate incubated for 30 mins prior to substrate addition measured for ...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
BindingDB Entry DOI: 10.7270/Q2RX9DJ9
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50444297
PNG
(CHEMBL3093815)
Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3ccccc3s2)cc1=O
Show InChI InChI=1S/C18H17NO4S2/c1-18(2,3)16(21)23-14-9-22-11(8-13(14)20)10-24-17-19-12-6-4-5-7-15(12)25-17/h4-9H,10H2,1-3H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate incubated for 30 mins prior to substrate addition measured for ...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
BindingDB Entry DOI: 10.7270/Q2RX9DJ9
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50444296
PNG
(CHEMBL3093814)
Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O
Show InChI InChI=1S/C19H17NO7S/c1-19(2,3)17(24)26-15-8-25-11(7-13(15)21)9-28-18-20-12-6-10(16(22)23)4-5-14(12)27-18/h4-8H,9H2,1-3H3,(H,22,23)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate incubated for 30 mins prior to substrate addition measured for ...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
BindingDB Entry DOI: 10.7270/Q2RX9DJ9
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50084637
PNG
(2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O
Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate incubated for 30 mins prior to substrate addition measured for ...


J Med Chem 56: 9802-6 (2014)


Article DOI: 10.1021/jm4011725
BindingDB Entry DOI: 10.7270/Q2RX9DJ9
More data for this
Ligand-Target Pair