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BDBM50326027 CHEMBL1240612

SMILES: CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCc2cc3CSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CSCc(c3)c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N

InChI Key: InChIKey=TVXHODLMTNOZPW-OGJXFCKTNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326027   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin G


(Homo sapiens (Human))
BDBM50326027
PNG
(CHEMBL1240612)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCc2cc3CSC[C@H](NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CSCc(c3)c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N
Show InChI InChI=1/C77H106N18O21S3/c1-41(2)21-50-69(108)84-33-63(100)87-52(26-44-13-8-6-9-14-44)73(112)93-55-38-117-35-46-23-47(25-48(24-46)37-119-40-57(92-67(106)43(5)78)76(115)89-51(22-42(3)4)72(111)90-53(27-45-15-10-7-11-16-45)74(113)91-54(28-66(104)105)75(114)88-50)36-118-39-56(70(109)82-29-59(79)96)94-77(116)58-17-12-20-95(58)64(101)34-85-68(107)49(18-19-65(102)103)86-62(99)32-81-60(97)30-80-61(98)31-83-71(55)110/h6-11,13-16,23-25,41-43,49-58H,12,17-22,26-40,78H2,1-5H3,(H2,79,96)(H,80,98)(H,81,97)(H,82,109)(H,83,110)(H,84,108)(H,85,107)(H,86,99)(H,87,100)(H,88,114)(H,89,115)(H,90,111)(H,91,113)(H,92,106)(H,93,112)(H,94,116)(H,102,103)(H,104,105)/t43-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/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