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SMILES: Cc1ccc(cc1)-c1nnc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1N

InChI Key: InChIKey=XBGSKJWAMBGCIC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 111137   
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))		BDBM111137
PNG
(US9695179, 132)
Show SMILES Cc1ccc(cc1)-c1nnc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1N
Show InChI InChI=1S/C24H18ClN5OS/c1-14-7-9-16(10-8-14)22-28-29-24(30(22)26)32-21-20(15-5-3-2-4-6-15)18-13-17(25)11-12-19(18)27-23(21)31/h2-13H,26H2,1H3,(H,27,31)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.70E+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