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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'AP2-associated protein kinase 1' and Ligand = 'BDBM311338'   
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))
BDBM311338
PNG
((S)-1-((3-(difluoromethyl)-5-(7-fluoroquinolin-4-y...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2cc(F)ccc12
Show InChI InChI=1/C22H24F3N3O/c1-13(2)10-22(3,26)12-29-21-18(20(24)25)8-14(11-28-21)16-6-7-27-19-9-15(23)4-5-17(16)19/h4-9,11,13,20H,10,12,26H2,1-3H3/t22-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.25n/an/an/an/an/an/a



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 US9902722 (2018)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311338
PNG
((S)-1-((3-(difluoromethyl)-5-(7-fluoroquinolin-4-y...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc2cc(F)ccc12
Show InChI InChI=1/C22H24F3N3O/c1-13(2)10-22(3,26)12-29-21-18(20(24)25)8-14(11-28-21)16-6-7-27-19-9-15(23)4-5-17(16)19/h4-9,11,13,20H,10,12,26H2,1-3H3/t22-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.25n/an/an/an/an/an/a



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 US10155760 (2018)


Article DOI: 10.1021/jm070311l
BindingDB Entry DOI: 10.7270/Q2F191S4
More data for this
Ligand-Target Pair