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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin G' and Ligand = 'BDBM50281589'   
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))
BDBM50281589
PNG
(5N-(1-benzyl-3,3,3-trifluoro-2-oxopropyl)-1-[3-met...)
Show SMILES CC(C)[C@@H](NC(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C45H54F8N6O8/c1-23(2)32(36(61)43(46,47)45(51,52)53)55-40(65)31-15-11-21-59(31)42(67)34(25(5)6)57-38(63)28-18-16-27(17-19-28)37(62)56-33(24(3)4)41(66)58-20-10-14-30(58)39(64)54-29(35(60)44(48,49)50)22-26-12-8-7-9-13-26/h7-9,12-13,16-19,23-25,29-34H,10-11,14-15,20-22H2,1-6H3,(H,54,64)(H,55,65)(H,56,62)(H,57,63)/t29?,30-,31+,32?,33-,34+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its potency to inhibit human Cathepsin G


Bioorg Med Chem Lett 3: 525-530 (1993)


Article DOI: 10.1016/S0960-894X(01)81220-8
More data for this
Ligand-Target Pair