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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin G' and Ligand = 'BDBM50326028'   
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))		BDBM50326028
PNG
(CHEMBL1240611)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSCc2cc3CSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc4cnc[nH]4)NC(=O)[C@H](CSCc(c3)c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N |r|
Show InChI InChI=1S/C99H124N24O23S3/c1-6-51(4)84-99(146)119-67(30-54-19-11-8-12-20-54)89(136)117-73(36-82(128)129)95(142)111-65(25-50(2)3)86(133)108-42-81(127)110-66(29-53-17-9-7-10-18-53)88(135)122-76-47-148-44-56-26-55(27-57(28-56)45-149-48-77(98(145)123-84)120-85(132)52(5)100)43-147-46-75(87(134)107-41-80(103)126)121-94(141)72(35-79(102)125)115-91(138)69(32-59-39-106-64-24-16-14-22-62(59)64)112-90(137)68(31-58-38-105-63-23-15-13-21-61(58)63)113-96(143)74(37-83(130)131)118-93(140)71(34-78(101)124)116-92(139)70(114-97(76)144)33-60-40-104-49-109-60/h7-24,26-28,38-40,49-52,65-77,84,105-106H,6,25,29-37,41-48,100H2,1-5H3,(H2,101,124)(H2,102,125)(H2,103,126)(H,104,109)(H,107,134)(H,108,133)(H,110,127)(H,111,142)(H,112,137)(H,113,143)(H,114,144)(H,115,138)(H,116,139)(H,117,136)(H,118,140)(H,119,146)(H,120,132)(H,121,141)(H,122,135)(H,123,145)(H,128,129)(H,130,131)/t51-,52-,65-,66-,67-,68-,69-,70+,71?,72-,73-,74-,75-,76-,77-,84-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Similars
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Laboratory of Molecular Biology, Medical Research Council

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-Suc-Ala-Ala-Phe-Pro-pNA substrate by calorimetric assay

Nat Chem Biol 5: 502-7 (2009)


Article DOI: 10.1038/nchembio.184
BindingDB Entry DOI: 10.7270/Q2Z60P9P
More data for this
Ligand-Target Pair