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

InChI Key: InChIKey=CBNLXZBTQVYRAC-QHCPKHFHSA-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 2 hits for monomerid = 373608   
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))
BDBM373608
PNG
((S)-4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(trif...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(ccc12)C#N |r|
Show InChI InChI=1S/C24H24F3N3O/c1-15(2)12-23(3,29)14-31-22-7-5-17(11-20(22)24(25,26)27)18-8-9-30-21-10-16(13-28)4-6-19(18)21/h4-11,15H,12,14,29H2,1-3H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.660n/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))
BDBM373608
PNG
((S)-4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(trif...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc2cc(ccc12)C#N |r|
Show InChI InChI=1S/C24H24F3N3O/c1-15(2)12-23(3,29)14-31-22-7-5-17(11-20(22)24(25,26)27)18-8-9-30-21-10-16(13-28)4-6-19(18)21/h4-11,15H,12,14,29H2,1-3H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.660n/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