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BDBM254915 US9493483, 403

SMILES: Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1

InChI Key: InChIKey=GEAHCEHFMIOCKR-QFIPXVFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 254915   
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
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM254915
PNG
(US9493483, 403)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1
Show InChI InChI=1S/C26H21ClN4O2/c1-14-3-4-18(13-29-14)17-7-10-20-21(11-17)25(16-5-8-19(27)9-6-16)30-22(12-23(28)32)26-24(20)15(2)31-33-26/h3-11,13,22H,12H2,1-2H3,(H2,28,32)/t22-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 28n/an/an/an/a7.025



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


US Patent US9493483 (2016)


BindingDB Entry DOI: 10.7270/Q26D5RXQ
More data for this
Ligand-Target Pair