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SMILES: CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(C)c1

InChI Key: InChIKey=BSOULHYZJJKVGA-SFHVURJKSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 311166   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM311166
PNG
( (S)-2-((2-amino-4-methylpentyl)oxy)-5-(2-methylpy...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H23N3O/c1-13(2)8-18(21)12-23-19-5-4-15(10-17(19)11-20)16-6-7-22-14(3)9-16/h4-7,9-10,13,18H,8,12,21H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.810n/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))
BDBM311166
PNG
( (S)-2-((2-amino-4-methylpentyl)oxy)-5-(2-methylpy...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H23N3O/c1-13(2)8-18(21)12-23-19-5-4-15(10-17(19)11-20)16-6-7-22-14(3)9-16/h4-7,9-10,13,18H,8,12,21H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.810n/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))
BDBM311166
PNG
( (S)-2-((2-amino-4-methylpentyl)oxy)-5-(2-methylpy...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H23N3O/c1-13(2)8-18(21)12-23-19-5-4-15(10-17(19)11-20)16-6-7-22-14(3)9-16/h4-7,9-10,13,18H,8,12,21H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.810n/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)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311166
PNG
( (S)-2-((2-amino-4-methylpentyl)oxy)-5-(2-methylpy...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H23N3O/c1-13(2)8-18(21)12-23-19-5-4-15(10-17(19)11-20)16-6-7-22-14(3)9-16/h4-7,9-10,13,18H,8,12,21H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.810n/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)

More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM311166
PNG
( (S)-2-((2-amino-4-methylpentyl)oxy)-5-(2-methylpy...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H23N3O/c1-13(2)8-18(21)12-23-19-5-4-15(10-17(19)11-20)16-6-7-22-14(3)9-16/h4-7,9-10,13,18H,8,12,21H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.810n/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