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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein phosphatase 1A' and Ligand = 'BDBM50135676'   
Target/Host
(Institution)		LigandTarget/Host
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
Protein phosphatase 1A


(Homo sapiens (Human))		BDBM50135676
PNG
((S)-2-[(R)-2-(2-{[(R)-4-((4E,6E)-(2S,3S,8S,9S)-3-A...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C(=C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O)C(O)=O
Show InChI InChI=1S/C40H59N5O10/c1-23(2)20-33(40(53)54)44-37(49)27(6)41-38(50)28(7)45(9)35(47)19-18-32(39(51)52)43-36(48)26(5)31(42-29(8)46)17-16-24(3)21-25(4)34(55-10)22-30-14-12-11-13-15-30/h11-17,21,23,25-27,31-34H,7,18-20,22H2,1-6,8-10H3,(H,41,50)(H,42,46)(H,43,48)(H,44,49)(H,51,52)(H,53,54)/b17-16+,24-21+/t25-,26-,27+,31-,32+,33-,34-/m0/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
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Similars
PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay

Bioorg Med Chem Lett 13: 2903-6 (2003)


BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair