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BDBM340726 1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-tetrahydropyran-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one::US9763922, Example 252

SMILES: CCC(=O)N1CCc2c(C1)c(Nc1cc(C(F)F)c(cc1F)-c1cnn(C)c1)nn2C1CCOCC1

InChI Key: InChIKey=PUTHXKHFJCOABX-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 = 340726   
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))
BDBM340726
PNG
(1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyraz...)
Show SMILES CCC(=O)N1CCc2c(C1)c(Nc1cc(C(F)F)c(cc1F)-c1cnn(C)c1)nn2C1CCOCC1
Show InChI InChI=1S/C25H29F3N6O2/c1-3-23(35)33-7-4-22-19(14-33)25(31-34(22)16-5-8-36-9-6-16)30-21-11-18(24(27)28)17(10-20(21)26)15-12-29-32(2)13-15/h10-13,16,24H,3-9,14H2,1-2H3,(H,30,31)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 4.81E+3n/an/an/an/an/an/a



Genentech 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)


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


(Homo sapiens (Human))
BDBM340726
PNG
(1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyraz...)
Show SMILES CCC(=O)N1CCc2c(C1)c(Nc1cc(C(F)F)c(cc1F)-c1cnn(C)c1)nn2C1CCOCC1
Show InChI InChI=1S/C25H29F3N6O2/c1-3-23(35)33-7-4-22-19(14-33)25(31-34(22)16-5-8-36-9-6-16)30-21-11-18(24(27)28)17(10-20(21)26)15-12-29-32(2)13-15/h10-13,16,24H,3-9,14H2,1-2H3,(H,30,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 4n/an/an/an/an/an/a



Genentech 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)


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