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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'AP2-associated protein kinase 1' and Ligand = 'BDBM311218'   
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))
BDBM311218
PNG
((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0700n/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)


BindingDB Entry DOI: 10.7270/Q2F191S4
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311218
PNG
((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0700n/an/an/an/an/an/a



University of Mississippi



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...


J Med Chem 48: 2906-15 (2005)


BindingDB Entry DOI: 10.7270/Q2930WGG
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311218
PNG
((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0700n/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 US10981910 (2021)


BindingDB Entry DOI: 10.7270/Q2CF9T6J
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311218
PNG
((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0700n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US10351563 (2019)


BindingDB Entry DOI: 10.7270/Q2P55QWS
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311218
PNG
((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0700n/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 Cl prepared from 15 μl additions of enzyme and substrates (...


US Patent US10723734 (2020)


BindingDB Entry DOI: 10.7270/Q2Z60S4P
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311218
PNG
((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-11-10-19(14-22(24)18-8-9-18)20-12-13-27-23-7-5-4-6-21(20)23/h4-7,10-14,17-18H,8-9,15-16,26H2,1-3H3/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0700n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.


ACS Med Chem Lett 8: 595-597 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00208
BindingDB Entry DOI: 10.7270/Q2PR7ZD1
More data for this
Ligand-Target Pair