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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'AP2-associated protein kinase 1' and Ligand = 'BDBM311337'   
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))
BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 1.5n/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))
BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/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))
BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/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))
BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/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))
BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/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))
BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/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))
BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 262n/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))
BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 262n/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))
BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 262n/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))
BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 262n/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))
BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 262n/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))
BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 262n/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