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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'AP2-associated protein kinase 1' and Ligand = 'BDBM311291'   
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))
BDBM311291
PNG
((S)-1-((2′-chloro-4-(difluoromethyl)-[2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C18H22ClF2N3O/c1-11(2)8-18(3,22)10-25-15-9-24-14(7-13(15)17(20)21)12-4-5-23-16(19)6-12/h4-7,9,11,17H,8,10,22H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.560n/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))
BDBM311291
PNG
((S)-1-((2′-chloro-4-(difluoromethyl)-[2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C18H22ClF2N3O/c1-11(2)8-18(3,22)10-25-15-9-24-14(7-13(15)17(20)21)12-4-5-23-16(19)6-12/h4-7,9,11,17H,8,10,22H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.560n/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))
BDBM311291
PNG
((S)-1-((2′-chloro-4-(difluoromethyl)-[2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C18H22ClF2N3O/c1-11(2)8-18(3,22)10-25-15-9-24-14(7-13(15)17(20)21)12-4-5-23-16(19)6-12/h4-7,9,11,17H,8,10,22H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.560n/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))
BDBM311291
PNG
((S)-1-((2′-chloro-4-(difluoromethyl)-[2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C18H22ClF2N3O/c1-11(2)8-18(3,22)10-25-15-9-24-14(7-13(15)17(20)21)12-4-5-23-16(19)6-12/h4-7,9,11,17H,8,10,22H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.560n/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))
BDBM311291
PNG
((S)-1-((2′-chloro-4-(difluoromethyl)-[2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C18H22ClF2N3O/c1-11(2)8-18(3,22)10-25-15-9-24-14(7-13(15)17(20)21)12-4-5-23-16(19)6-12/h4-7,9,11,17H,8,10,22H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.560n/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))
BDBM311291
PNG
((S)-1-((2′-chloro-4-(difluoromethyl)-[2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C18H22ClF2N3O/c1-11(2)8-18(3,22)10-25-15-9-24-14(7-13(15)17(20)21)12-4-5-23-16(19)6-12/h4-7,9,11,17H,8,10,22H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.560n/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))
BDBM311291
PNG
((S)-1-((2′-chloro-4-(difluoromethyl)-[2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C18H22ClF2N3O/c1-11(2)8-18(3,22)10-25-15-9-24-14(7-13(15)17(20)21)12-4-5-23-16(19)6-12/h4-7,9,11,17H,8,10,22H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311291
PNG
((S)-1-((2′-chloro-4-(difluoromethyl)-[2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C18H22ClF2N3O/c1-11(2)8-18(3,22)10-25-15-9-24-14(7-13(15)17(20)21)12-4-5-23-16(19)6-12/h4-7,9,11,17H,8,10,22H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02132
BindingDB Entry DOI: 10.7270/Q2TH8RSP
More data for this
Ligand-Target Pair