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BDBM320343 2-{6-Fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5-yl]-5H-pyrido[3,2-b]indol-7-yl}-1λ6,2-thiazolidine-1,1-dione::US10174024, Example 61

SMILES: Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1c(F)c(ccc21)N1CCCS1(=O)=O

InChI Key: InChIKey=IMZQXFJFTFMGKO-NDEPHWFRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 320343   
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))
BDBM320343
PNG
(2-{6-Fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-y...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ncccc1F)c1c(F)c(ccc21)N1CCCS1(=O)=O
Show InChI InChI=1S/C29H29F2N7O3S/c1-17-27(36(2)35-34-17)19-15-23-25(33-16-19)20-6-7-22(37-11-4-14-42(37,39)40)24(31)29(20)38(23)28(18-8-12-41-13-9-18)26-21(30)5-3-10-32-26/h3,5-7,10,15-16,18,28H,4,8-9,11-14H2,1-2H3/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/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)

More data for this
Ligand-Target Pair