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BDBM320305 2-{4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-methanesulfonyl-5-[(S)-oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-9-yl]piperazin-1-yl}acetamide::US10174024, Example 22

SMILES: Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(ccc(N3CCN(CC(N)=O)CC3)c21)S(C)(=O)=O

InChI Key: InChIKey=VXYPWPFNZRVAMN-MGBGTMOVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 320305   
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))		BDBM320305
PNG
(2-{4-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-6-methane...)
Show SMILES Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c(ccc(N3CCN(CC(N)=O)CC3)c21)S(C)(=O)=O |r|
Show InChI InChI=1S/C34H40N8O4S/c1-22-32(39(2)38-37-22)25-19-27-31(36-20-25)30-26(41-15-13-40(14-16-41)21-29(35)43)9-10-28(47(3,44)45)34(30)42(27)33(23-7-5-4-6-8-23)24-11-17-46-18-12-24/h4-10,19-20,24,33H,11-18,21H2,1-3H3,(H2,35,43)/t33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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)


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