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BDBM215774 US9296748, IV-6

SMILES: CN1CCN(CC1)c1cnc2n(Cc3ccccc3)c(nc2c1)-c1cc(C)c(=O)n(C)c1

InChI Key: InChIKey=TWIFQQYUEULFKG-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 215774   
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 (BRD4) (aa 44-168)


(Homo sapiens (Human))
BDBM215774
PNG
(US9296748, IV-6)
Show SMILES CN1CCN(CC1)c1cnc2n(Cc3ccccc3)c(nc2c1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C25H28N6O/c1-18-13-20(17-29(3)25(18)32)23-27-22-14-21(30-11-9-28(2)10-12-30)15-26-24(22)31(23)16-19-7-5-4-6-8-19/h4-8,13-15,17H,9-12,16H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair