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BDBM50110693 25-Cyclohexylmethyl-15-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-3,7,14,18,21-pentamethyl-6-methylene-2,5,8,13,17,20,24-heptaoxo-1,4,7,12,16,19hexaaza-cyclopentacosane-11,22-dicarboxylic acid::CHEMBL17060

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](CC2CCCCC2)NC(=O)[C@@H](C)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=HPMPCOOGTVNIGK-HCYOLMKWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110693   
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 55 kDa regulatory subunit B


(Gallus gallus)		BDBM50110693
PNG
(25-Cyclohexylmethyl-15-(6-methoxy-3,5-dimethyl-7-p...)
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](CC2CCCCC2)NC(=O)[C@@H](C)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/C50H72N6O12/c1-28(24-29(2)42(68-9)26-36-18-14-11-15-19-36)20-21-38-31(4)45(60)54-39(50(66)67)22-23-43(58)56(8)34(7)48(63)52-33(6)47(62)55-40(25-35-16-12-10-13-17-35)41(57)27-37(49(64)65)30(3)44(59)51-32(5)46(61)53-38/h11,14-15,18-21,24,29-33,35,37-40,42H,7,10,12-13,16-17,22-23,25-27H2,1-6,8-9H3,(H,51,59)(H,52,63)(H,53,61)(H,54,60)(H,55,62)(H,64,65)(H,66,67)/b21-20+,28-24+/t29-,30-,31-,32-,33+,37+,38-,39+,40-,42-/m0/s1
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.40n/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)


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