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PubMed code 15919995

Compile data set for download or QSAR
Found 4 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
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50248765
PNG
(1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...)
Show SMILES Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCO)c2ncnc(N)c12
Show InChI InChI=1S/C18H19FN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)
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Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of RSK2 C-terminal kinase domain (unknown origin) expressed in Escherichia coli preincubated for 30 mins


Science 308: 1318-21 (2005)


Article DOI: 10.1126/science1108367
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50248766
PNG
(3-(4-amino-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Cc1ccc(cc1)-c1cn(CCCO)c2ncnc(N)c12
Show InChI InChI=1S/C16H18N4O/c1-11-3-5-12(6-4-11)13-9-20(7-2-8-21)16-14(13)15(17)18-10-19-16/h3-6,9-10,21H,2,7-8H2,1H3,(H2,17,18,19)
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Article
PubMed
n/an/a 1.20E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of RSK2 C-terminal kinase domain (unknown origin) expressed in Escherichia coli preincubated for 30 mins


Science 308: 1318-21 (2005)


Article DOI: 10.1126/science1108367
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50248767
PNG
(1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...)
Show SMILES Cc1ccc(cc1)-c1c(C(=O)CCl)n(CCCO)c2ncnc(N)c12
Show InChI InChI=1S/C18H19ClN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)
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Article
PubMed
n/an/a 4.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of wild type FYN (unknown origin) expressed in Escherichia coli


Science 308: 1318-21 (2005)


Article DOI: 10.1126/science1108367
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50248765
PNG
(1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...)
Show SMILES Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCO)c2ncnc(N)c12
Show InChI InChI=1S/C18H19FN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of wild type FYN (unknown origin) expressed in Escherichia coli


Science 308: 1318-21 (2005)


Article DOI: 10.1126/science1108367
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%