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PubMed code 24487236

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Tyrosine-protein kinase BRK


(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=1S/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+/m1/s1
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Article
PubMed
n/an/a 1.25E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of PTK6 (unknown origin) phosphorylation using Z'-LYTE-Tyr 1 peptide substrate after 1 hr by fluorescence assay


Eur J Med Chem 73: 310-24 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.039
BindingDB Entry DOI: 10.7270/Q23F4R4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM50446662
PNG
(CHEMBL3113311)
Show SMILES CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@@H]1[C@](C)(O)CC[C@@H]2OC(C)(C)[C@H](CC[C@@]12C)OC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C37H54Cl2O5/c1-22-9-11-26-25(15-19-36(26,7)41)33(2,3)24(22)12-14-29-35(6)18-16-30(34(4,5)44-31(35)17-20-37(29,8)42)43-32(40)23-10-13-27(38)28(39)21-23/h9-10,13,21,24-26,29-31,41-42H,11-12,14-20H2,1-8H3/t24-,25+,26+,29+,30+,31+,35+,36+,37-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Inhibition of PTK6 (unknown origin) phosphorylation using Z'-LYTE-Tyr 1 peptide substrate after 1 hr by fluorescence assay


Eur J Med Chem 73: 310-24 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.039
BindingDB Entry DOI: 10.7270/Q23F4R4F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%