BindingDB logo
myBDB logout

BDBM311215 (S)-1-(4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy)-2,4-dimethylpentan-2-amine::US10155760, Example 71::US10351563, Example 71::US10544120, Example 71::US10723734, Example 71::US10981910, Example 71::US9902722, Example 71

SMILES: CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(F)ccc12

InChI Key: InChIKey=LFRSZAAWZUOCAR-QFIPXVFZSA-N

Data: 6 IC50

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 6 hits for monomerid = 311215   
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))
BDBM311215
PNG
((S)-1-(4-(7-fluoroquinolin-4-yl)-2-(trifluoromethy...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(F)ccc12 |r|
Show InChI InChI=1S/C23H24F4N2O/c1-14(2)12-22(3,28)13-30-21-7-4-15(10-19(21)23(25,26)27)17-8-9-29-20-11-16(24)5-6-18(17)20/h4-11,14H,12-13,28H2,1-3H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.550n/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))
BDBM311215
PNG
((S)-1-(4-(7-fluoroquinolin-4-yl)-2-(trifluoromethy...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(F)ccc12 |r|
Show InChI InChI=1S/C23H24F4N2O/c1-14(2)12-22(3,28)13-30-21-7-4-15(10-19(21)23(25,26)27)17-8-9-29-20-11-16(24)5-6-18(17)20/h4-11,14H,12-13,28H2,1-3H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.550n/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))
BDBM311215
PNG
((S)-1-(4-(7-fluoroquinolin-4-yl)-2-(trifluoromethy...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(F)ccc12 |r|
Show InChI InChI=1S/C23H24F4N2O/c1-14(2)12-22(3,28)13-30-21-7-4-15(10-19(21)23(25,26)27)17-8-9-29-20-11-16(24)5-6-18(17)20/h4-11,14H,12-13,28H2,1-3H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.550n/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))
BDBM311215
PNG
((S)-1-(4-(7-fluoroquinolin-4-yl)-2-(trifluoromethy...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(F)ccc12 |r|
Show InChI InChI=1S/C23H24F4N2O/c1-14(2)12-22(3,28)13-30-21-7-4-15(10-19(21)23(25,26)27)17-8-9-29-20-11-16(24)5-6-18(17)20/h4-11,14H,12-13,28H2,1-3H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.550n/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))
BDBM311215
PNG
((S)-1-(4-(7-fluoroquinolin-4-yl)-2-(trifluoromethy...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(F)ccc12 |r|
Show InChI InChI=1S/C23H24F4N2O/c1-14(2)12-22(3,28)13-30-21-7-4-15(10-19(21)23(25,26)27)17-8-9-29-20-11-16(24)5-6-18(17)20/h4-11,14H,12-13,28H2,1-3H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.550n/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))
BDBM311215
PNG
((S)-1-(4-(7-fluoroquinolin-4-yl)-2-(trifluoromethy...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(F)ccc12 |r|
Show InChI InChI=1S/C23H24F4N2O/c1-14(2)12-22(3,28)13-30-21-7-4-15(10-19(21)23(25,26)27)17-8-9-29-20-11-16(24)5-6-18(17)20/h4-11,14H,12-13,28H2,1-3H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.550n/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