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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 = 'BDBM50135679'   
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))		BDBM50135679
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)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O)C(O)=O
Show InChI InChI=1S/C39H59N5O10/c1-23(2)19-32(39(52)53)43-37(49)27(6)40-34(46)22-44(8)35(47)18-17-31(38(50)51)42-36(48)26(5)30(41-28(7)45)16-15-24(3)20-25(4)33(54-9)21-29-13-11-10-12-14-29/h10-16,20,23,25-27,30-33H,17-19,21-22H2,1-9H3,(H,40,46)(H,41,45)(H,42,48)(H,43,49)(H,50,51)(H,52,53)/b16-15+,24-20+/t25-,26-,27+,30-,31+,32-,33-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.30E+5n/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