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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 279457   
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
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM279457
PNG
((R)-1-(5-(7H-pyrrolo[2, 3-d]pyrimidin-4-yl)-1H-ben...)
Show SMILES CC(C)C[C@@H](N)c1nc2cc(ccc2[nH]1)-c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C18H18N6/c1-10(2)7-13(19)18-23-14-4-3-11(8-15(14)24-18)16-12-5-6-20-17(12)22-9-21-16/h3-6,8-10,13H,7,19H2,1-2H3/b16-11+/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 a...


J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM279457
PNG
((R)-1-(5-(7H-pyrrolo[2, 3-d]pyrimidin-4-yl)-1H-ben...)
Show SMILES CC(C)C[C@@H](N)c1nc2cc(ccc2[nH]1)-c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C18H18N6/c1-10(2)7-13(19)18-23-14-4-3-11(8-15(14)24-18)16-12-5-6-20-17(12)22-9-21-16/h3-6,8-10,13H,7,19H2,1-2H3/b16-11+/t13-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US10035777 (2018)


BindingDB Entry DOI: 10.7270/Q28C9Z8G
More data for this
Ligand-Target Pair