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BDBM340545 US9763922, Example 76

SMILES: CCC(O)c1cccc(c1)-c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1

InChI Key: InChIKey=COHJFFNOXQFYOA-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 = 340545   
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))
BDBM340545
PNG
(US9763922, Example 76)
Show SMILES CCC(O)c1cccc(c1)-c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1
Show InChI InChI=1S/C27H32N4O2/c1-3-26(33)22-8-4-6-20(14-22)21-7-5-9-23(15-21)28-27-24-17-30(18(2)32)13-12-25(24)31(29-27)16-19-10-11-19/h4-9,14-15,19,26,33H,3,10-13,16-17H2,1-2H3,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 900n/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)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM340545
PNG
(US9763922, Example 76)
Show SMILES CCC(O)c1cccc(c1)-c1cccc(Nc2nn(CC3CC3)c3CCN(Cc23)C(C)=O)c1
Show InChI InChI=1S/C27H32N4O2/c1-3-26(33)22-8-4-6-20(14-22)21-7-5-9-23(15-21)28-27-24-17-30(18(2)32)13-12-25(24)31(29-27)16-19-10-11-19/h4-9,14-15,19,26,33H,3,10-13,16-17H2,1-2H3,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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)

More data for this
Ligand-Target Pair