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SMILES: COc1ccc(cc1)-c1cc(=O)[nH]c(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1

InChI Key: InChIKey=LSIGVPURCWKUIV-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 111103   
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))		BDBM111103
PNG
(US9695179, 98)
Show SMILES COc1ccc(cc1)-c1cc(=O)[nH]c(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1
Show InChI InChI=1S/C26H18ClN3O3S/c1-33-18-10-7-15(8-11-18)21-14-22(31)30-26(29-21)34-24-23(16-5-3-2-4-6-16)19-13-17(27)9-12-20(19)28-25(24)32/h2-14H,1H3,(H,28,32)(H,29,30,31)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 6.70E+3n/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