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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin G' and Ligand = 'BDBM50014741'   
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))
BDBM50014741
PNG
(CHEMBL130190 | N-{1-[2-(1-Benzyl-3,3,3-trifluoro-2...)
Show SMILES COC(=O)CCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O6/c1-15(2)21(30-19(32)11-12-20(33)37-3)24(36)31-13-7-10-18(31)23(35)29-17(22(34)25(26,27)28)14-16-8-5-4-6-9-16/h4-6,8-9,15,17-18,21H,7,10-14H2,1-3H3,(H,29,35)(H,30,32)/t17-,18-,21-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
200n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against rat Cathepsin G


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50014741
PNG
(CHEMBL130190 | N-{1-[2-(1-Benzyl-3,3,3-trifluoro-2...)
Show SMILES COC(=O)CCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O6/c1-15(2)21(30-19(32)11-12-20(33)37-3)24(36)31-13-7-10-18(31)23(35)29-17(22(34)25(26,27)28)14-16-8-5-4-6-9-16/h4-6,8-9,15,17-18,21H,7,10-14H2,1-3H3,(H,29,35)(H,30,32)/t17-,18-,21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Elastase for less active diasteriomer


J Med Chem 33: 394-407 (1990)

More data for this
Ligand-Target Pair