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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine protein phosphatase PP2B-alpha catalytic subunit' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Serine/threonine protein phosphatase PP2B-alpha catalytic subunit


(Homo sapiens)
BDBM50336545
PNG
((1R,2S)-1-((2S,4R)-4-(8-bromo-2-(2-isobutyramidoth...)
Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(O)=O)cc(nc2c1Br)-c1csc(NC(=O)C(C)C)n1
Show InChI InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1
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PC cid
PC sid
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AffyNet 
Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human PP2B


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine protein phosphatase PP2B-alpha catalytic subunit


(Homo sapiens)
BDBM96001
PNG
(6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-tri...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2)cc1
Show InChI InChI=1S/C21H27N5/c1-21(2)25-19(22)24-20(23)26(21)18-14-12-17(13-15-18)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H4,22,23,24,25)
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NCI pathway
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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of PP2B


Citation and Details
More data for this
Ligand-Target Pair