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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [353-454]' and Ligand = 'BDBM318615'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Bromodomain-containing protein 4 [353-454]


(Homo sapiens (Human))		BDBM318615
PNG
(7-(3,5-Dimethylisoxazol-4-yl)-9-fluoro-N,N-dimethy...)
Show SMILES CN(C)c1nc2c(F)cc(-c3c(C)noc3C)c3OCC(c4cccnc4)n1c23 |(2.03,3.79,;2.8,2.46,;4.34,2.46,;2.03,1.13,;2.8,-.21,;2.03,-1.54,;2.03,-3.08,;3.36,-3.85,;.7,-3.85,;-.64,-3.08,;-1.97,-3.85,;-1.97,-5.39,;-.64,-6.16,;-3.44,-5.87,;-4.34,-4.62,;-3.44,-3.37,;-4.21,-2.04,;-.64,-1.54,;-1.97,-.77,;-1.97,.77,;-.64,1.54,;-.64,3.08,;-1.97,3.85,;-1.97,5.39,;-.64,6.16,;.7,5.39,;.7,3.85,;.7,.77,;.7,-.77,)|
Show InChI InChI=1S/C21H20FN5O2/c1-11-17(12(2)29-25-11)14-8-15(22)18-19-20(14)28-10-16(13-6-5-7-23-9-13)27(19)21(24-18)26(3)4/h5-9,16H,10H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20R9T84
More data for this
Ligand-Target Pair