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SMILES: COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3cccc4cccnc34)c(-c3coc(C)n3)c2=O)cc1

InChI Key: InChIKey=DUTRMNWTWPTCLX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 111092   
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 [342-460]/[42-168]


(Homo sapiens (Human))		BDBM111092
PNG
(US9695179, 88)
Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3cccc4cccnc34)c(-c3coc(C)n3)c2=O)cc1
Show InChI InChI=1S/C30H22ClN3O6S/c1-18-33-24(17-39-18)27-29(40-41(36,37)26-7-3-5-20-6-4-14-32-28(20)26)23-15-21(31)10-13-25(23)34(30(27)35)16-19-8-11-22(38-2)12-9-19/h3-15,17H,16H2,1-2H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 8.64E+5n/an/an/an/an/a25



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...

US Patent US9695179 (2017)


BindingDB Entry DOI: 10.7270/Q21G0JF6
More data for this
Ligand-Target Pair