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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'AP2-associated protein kinase 1' and Ligand = 'BDBM311250'   
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))
BDBM311250
PNG
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(c(F)cn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r|
Show InChI InChI=1S/C21H25FN4O3/c1-13(2)9-21(3,24)12-29-18-6-5-14(7-15(18)10-23)16-8-19(25-11-17(16)22)26-20(27)28-4/h5-8,11,13H,9,12,24H2,1-4H3,(H,25,26,27)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.620n/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))
BDBM311250
PNG
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(c(F)cn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r|
Show InChI InChI=1S/C21H25FN4O3/c1-13(2)9-21(3,24)12-29-18-6-5-14(7-15(18)10-23)16-8-19(25-11-17(16)22)26-20(27)28-4/h5-8,11,13H,9,12,24H2,1-4H3,(H,25,26,27)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.620n/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))
BDBM311250
PNG
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(c(F)cn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r|
Show InChI InChI=1S/C21H25FN4O3/c1-13(2)9-21(3,24)12-29-18-6-5-14(7-15(18)10-23)16-8-19(25-11-17(16)22)26-20(27)28-4/h5-8,11,13H,9,12,24H2,1-4H3,(H,25,26,27)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.620n/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))
BDBM311250
PNG
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(c(F)cn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r|
Show InChI InChI=1S/C21H25FN4O3/c1-13(2)9-21(3,24)12-29-18-6-5-14(7-15(18)10-23)16-8-19(25-11-17(16)22)26-20(27)28-4/h5-8,11,13H,9,12,24H2,1-4H3,(H,25,26,27)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.620n/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))
BDBM311250
PNG
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES COC(=O)Nc1cc(c(F)cn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r|
Show InChI InChI=1S/C21H25FN4O3/c1-13(2)9-21(3,24)12-29-18-6-5-14(7-15(18)10-23)16-8-19(25-11-17(16)22)26-20(27)28-4/h5-8,11,13H,9,12,24H2,1-4H3,(H,25,26,27)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.620n/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