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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein phosphatase 5' and Ligand = 'BDBM217371'   
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
Serine/threonine-protein phosphatase 5


(Homo sapiens (Human))		BDBM217371
PNG
(DDTSRMEEVD)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C45H73N13O23S/c1-18(2)33(42(78)55-26(44(80)81)16-32(69)70)57-39(75)23(8-10-29(63)64)52-37(73)22(7-9-28(61)62)51-38(74)24(11-13-82-4)53-36(72)21(6-5-12-49-45(47)48)50-41(77)27(17-59)56-43(79)34(19(3)60)58-40(76)25(15-31(67)68)54-35(71)20(46)14-30(65)66/h18-27,33-34,59-60H,5-17,46H2,1-4H3,(H,50,77)(H,51,74)(H,52,73)(H,53,72)(H,54,71)(H,55,78)(H,56,79)(H,57,75)(H,58,76)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,80,81)(H4,47,48,49)/t19-,20+,21+,22+,23+,24+,25+,26+,27+,33+,34+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 79n/an/an/a7.425



University of Michigan



Assay Description
All fluorescence polarization experiments were conducted in 384-well, black, low volume, round-bottomed plates (Corning) using a BioTeck Synergy 2 pl...

J Biol Chem 289: 2908-17 (2014)


Article DOI: 10.1074/jbc.M113.519421
BindingDB Entry DOI: 10.7270/Q2GH9GSN
More data for this
Ligand-Target Pair