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BDBM215749 US9296748, II-36

SMILES: CC(c1ccccn1)n1c(nc2cnc(Cl)cc12)-c1cc(C)c(=O)n(C)c1

InChI Key: InChIKey=QIIFKSKSJOZOKF-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 = 215749   
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))
BDBM215749
PNG
(US9296748, II-36)
Show SMILES CC(c1ccccn1)n1c(nc2cnc(Cl)cc12)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H18ClN5O/c1-12-8-14(11-25(3)20(12)27)19-24-16-10-23-18(21)9-17(16)26(19)13(2)15-6-4-5-7-22-15/h4-11,13H,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 650n/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