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BDBM34014 3-methylphenylalanine derivative, 22b

SMILES: Cc1cccc(C[C@H](COP(O)(O)=O)NC(=O)c2cc3ccccc3s2)c1

InChI Key: InChIKey=VJUQXEZAYUVHJF-XISACWJONA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 34014   
Target
(Institution)
LigandTarget
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
PPIase Pin1


(Homo sapiens)
BDBM34014
PNG
(3-methylphenylalanine derivative, 22b)
Show SMILES Cc1cccc(C[C@H](COP(O)(O)=O)NC(=O)c2cc3ccccc3s2)c1 |r|
Show InChI InChI=1/C19H20NO5PS/c1-13-5-4-6-14(9-13)10-16(12-25-26(22,23)24)20-19(21)18-11-15-7-2-3-8-17(15)27-18/h2-9,11,16H,10,12H2,1H3,(H,20,21)(H2,22,23,24)/t16-/s2
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
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PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
MMDB
Article
PubMed
57 -9.54n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Citation and Details
More data for this
Ligand-Target Pair