BindingDB logo
myBDB logout

BDBM340763 US9763922, Example 289

SMILES: CC(=O)N1CCc2c(C1)c(Nc1ccc(-c3cnn(C)c3)c(c1)C(F)F)nn2C1CCOC1

InChI Key: InChIKey=PAXCKGGIPWMPJR-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 = 340763   
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))
BDBM340763
PNG
(US9763922, Example 289)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(-c3cnn(C)c3)c(c1)C(F)F)nn2C1CCOC1
Show InChI InChI=1S/C23H26F2N6O2/c1-14(32)30-7-5-21-20(12-30)23(28-31(21)17-6-8-33-13-17)27-16-3-4-18(19(9-16)22(24)25)15-10-26-29(2)11-15/h3-4,9-11,17,22H,5-8,12-13H2,1-2H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.54E+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))
BDBM340763
PNG
(US9763922, Example 289)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(-c3cnn(C)c3)c(c1)C(F)F)nn2C1CCOC1
Show InChI InChI=1S/C23H26F2N6O2/c1-14(32)30-7-5-21-20(12-30)23(28-31(21)17-6-8-33-13-17)27-16-3-4-18(19(9-16)22(24)25)15-10-26-29(2)11-15/h3-4,9-11,17,22H,5-8,12-13H2,1-2H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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