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Compile Data Set for Download or QSAR

Found 3 hits of ic50 data for polymerid = 50004559   
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 kinase ICK


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/s2
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PubMed
n/an/a 41n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of ICK (unknown origin)


Eur J Med Chem 141: 657-675 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ICK


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human LCK2 using MBP as substrate


Bioorg Med Chem 24: 521-44 (2016)


Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ICK


(Homo sapiens (Human))
BDBM50346243
PNG
(CHEMBL1779593 | furan-2-yl(5-(2-hydroxyphenyl)-3-(...)
Show SMILES Oc1ccccc1C1CC(=NN1C(=O)c1ccco1)c1cccnc1
Show InChI InChI=1/C19H15N3O3/c23-17-7-2-1-6-14(17)16-11-15(13-5-3-9-20-12-13)21-22(16)19(24)18-8-4-10-25-18/h1-10,12,16,23H,11H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of LCK2


Bioorg Med Chem Lett 20: 4795-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.110
BindingDB Entry DOI: 10.7270/Q2WH2QBS
More data for this
Ligand-Target Pair