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SMILES: Cc1nnn(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C

InChI Key: InChIKey=CUTOGOJPZDDMJF-WJOKGBTCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 320301   
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))		BDBM320301
PNG
(5-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-oxan-...)
Show SMILES Cc1nnn(C)c1-c1ccc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(cnc21)-c1c(C)nnn1C |r|
Show InChI InChI=1S/C31H32N8O/c1-19-29(37(3)35-33-19)23-10-11-25-26(16-23)39(31(21-8-6-5-7-9-21)22-12-14-40-15-13-22)27-17-24(18-32-28(25)27)30-20(2)34-36-38(30)4/h5-11,16-18,22,31H,12-15H2,1-4H3/t31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...

US Patent US10174024 (2019)


BindingDB Entry DOI: 10.7270/Q2319XZ1
More data for this
Ligand-Target Pair