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BDBM320334 (2S)-4-{5-[(S)-(2-Fluorophenyl)(oxan-4-yl)methyl]-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5-yl]-5H-pyrido[3,2-b]indol-8-yl}-2-methyl-11λ6,4-thiomorpholine-1,1-dione::US10174024, Example 52

SMILES: C[C@H]1CN(CCS1(=O)=O)c1ccc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c2c1)-c1c(C)nnn1C

InChI Key: InChIKey=KXLKZGBBDBNVAJ-WEZXKFLESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 320334   
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))		BDBM320334
PNG
((2S)-4-{5-[(S)-(2-Fluorophenyl)(oxan-4-yl)methyl]-...)
Show SMILES C[C@H]1CN(CCS1(=O)=O)c1ccc2n([C@@H](C3CCOCC3)c3ccccc3F)c3cc(cnc3c2c1)-c1c(C)nnn1C |r|
Show InChI InChI=1S/C32H35FN6O3S/c1-20-19-38(12-15-43(20,40)41)24-8-9-28-26(17-24)30-29(16-23(18-34-30)31-21(2)35-36-37(31)3)39(28)32(22-10-13-42-14-11-22)25-6-4-5-7-27(25)33/h4-9,16-18,20,22,32H,10-15,19H2,1-3H3/t20-,32-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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