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BDBM340524 1-(3-((2-fluoro-4-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone::US9763922, Example 55

SMILES: CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cn(C)nc1C(F)(F)F)nn2C1CCOC1

InChI Key: InChIKey=ZWUIZHBOWLCTQT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 340524   
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM340524
PNG
(1-(3-((2-fluoro-4-(1-methyl-3-(trifluoromethyl)-1H...)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cn(C)nc1C(F)(F)F)nn2C1CCOC1
Show InChI InChI=1S/C23H24F4N6O2/c1-13(34)32-7-5-20-17(11-32)22(30-33(20)15-6-8-35-12-15)28-19-4-3-14(9-18(19)24)16-10-31(2)29-21(16)23(25,26)27/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,28,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.79E+3n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM340524
PNG
(1-(3-((2-fluoro-4-(1-methyl-3-(trifluoromethyl)-1H...)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cn(C)nc1C(F)(F)F)nn2C1CCOC1
Show InChI InChI=1S/C23H24F4N6O2/c1-13(34)32-7-5-20-17(11-32)22(30-33(20)15-6-8-35-12-15)28-19-4-3-14(9-18(19)24)16-10-31(2)29-21(16)23(25,26)27/h3-4,9-10,15H,5-8,11-12H2,1-2H3,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
More data for this
Ligand-Target Pair