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SMILES: Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ncc21)-c1c(C)nnn1C

InChI Key: InChIKey=UMBMNCROQTWADD-SSEXGKCCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 331334   
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 [1-477]/[333-460]/[44-168]/[44-460]


(Homo sapiens (Human))		BDBM331334
PNG
(5,11-Bis[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ncc21)-c1c(C)nnn1C |r|
Show InChI InChI=1S/C30H31N9O/c1-18-28(37(3)35-33-18)22-14-26-27(32-16-22)23-17-31-24(29-19(2)34-36-38(29)4)15-25(23)39(26)30(20-8-6-5-7-9-20)21-10-12-40-13-11-21/h5-9,14-17,21,30H,10-13H2,1-4H3/t30-/m1/s1
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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 US9725449 (2017)


BindingDB Entry DOI: 10.7270/Q2P55QM6
More data for this
Ligand-Target Pair