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BDBM50110694 11,22-Dicarboxy-25-isobutyl-15-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-7,14,18,21-tetramethyl-6-methylene-2,5,8,13,17,20,24-heptaoxo-1,4,7,12,16,19hexaaza-cyclopentacos-3-ylmethyl-ammonium

SMILES: CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C[NH3+])NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O

InChI Key: InChIKey=MYMBZIVXMFWLQH-NYAUCJIASA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110694   
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
Serine-threonine protein phosphatase 2A regulatory subunit


(Gallus gallus)
BDBM50110694
PNG
(11,22-Dicarboxy-25-isobutyl-15-(6-methoxy-3,5-dime...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C[NH3+])NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O
Show InChI InChI=1S/C47H69N7O12/c1-25(2)20-36-38(55)23-33(46(62)63)28(5)41(57)49-30(7)43(59)50-34(17-16-26(3)21-27(4)39(66-10)22-32-14-12-11-13-15-32)29(6)42(58)51-35(47(64)65)18-19-40(56)54(9)31(8)44(60)53-37(24-48)45(61)52-36/h11-17,21,25,27-30,33-37,39H,8,18-20,22-24,48H2,1-7,9-10H3,(H,49,57)(H,50,59)(H,51,58)(H,52,61)(H,53,60)(H,62,63)(H,64,65)/p+1/b17-16+,26-21+/t27-,28-,29-,30-,33+,34-,35+,36-,37+,39-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of microcystin analogues to catalytic subunits of Serine/threonine protein phosphatase 2A (PP2Ac)


J Med Chem 45: 1151-75 (2002)


Article DOI: 10.1021/jm010066k
BindingDB Entry DOI: 10.7270/Q2DJ5GCG
More data for this
Ligand-Target Pair