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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 = 'BDBM311353'   
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))
BDBM311353
PNG
((S)-methyl (4-(5-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1ncc(OC[C@@](C)(N)CC(C)C)cn1 |r|
Show InChI InChI=1S/C18H25N5O3/c1-12(2)8-18(3,19)11-26-14-9-21-16(22-10-14)13-5-6-20-15(7-13)23-17(24)25-4/h5-7,9-10,12H,8,11,19H2,1-4H3,(H,20,23,24)/t18-/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/a 79n/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))
BDBM311353
PNG
((S)-methyl (4-(5-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1ncc(OC[C@@](C)(N)CC(C)C)cn1 |r|
Show InChI InChI=1S/C18H25N5O3/c1-12(2)8-18(3,19)11-26-14-9-21-16(22-10-14)13-5-6-20-15(7-13)23-17(24)25-4/h5-7,9-10,12H,8,11,19H2,1-4H3,(H,20,23,24)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 79n/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))
BDBM311353
PNG
((S)-methyl (4-(5-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1ncc(OC[C@@](C)(N)CC(C)C)cn1 |r|
Show InChI InChI=1S/C18H25N5O3/c1-12(2)8-18(3,19)11-26-14-9-21-16(22-10-14)13-5-6-20-15(7-13)23-17(24)25-4/h5-7,9-10,12H,8,11,19H2,1-4H3,(H,20,23,24)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 79n/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))
BDBM311353
PNG
((S)-methyl (4-(5-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1ncc(OC[C@@](C)(N)CC(C)C)cn1 |r|
Show InChI InChI=1S/C18H25N5O3/c1-12(2)8-18(3,19)11-26-14-9-21-16(22-10-14)13-5-6-20-15(7-13)23-17(24)25-4/h5-7,9-10,12H,8,11,19H2,1-4H3,(H,20,23,24)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 79n/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 US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311353
PNG
((S)-methyl (4-(5-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1ncc(OC[C@@](C)(N)CC(C)C)cn1 |r|
Show InChI InChI=1S/C18H25N5O3/c1-12(2)8-18(3,19)11-26-14-9-21-16(22-10-14)13-5-6-20-15(7-13)23-17(24)25-4/h5-7,9-10,12H,8,11,19H2,1-4H3,(H,20,23,24)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 79n/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))
BDBM311353
PNG
((S)-methyl (4-(5-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1ncc(OC[C@@](C)(N)CC(C)C)cn1 |r|
Show InChI InChI=1S/C18H25N5O3/c1-12(2)8-18(3,19)11-26-14-9-21-16(22-10-14)13-5-6-20-15(7-13)23-17(24)25-4/h5-7,9-10,12H,8,11,19H2,1-4H3,(H,20,23,24)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 79n/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