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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 = 'BDBM318617'   
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))		BDBM318617
PNG
(7-(3,5-Dimethylisoxazol-4-yl)-N-ethyl-9-fluoro-4-p...)
Show SMILES CCNc1nc2c(F)cc(-c3c(C)noc3C)c3OCC(c4cccnc4)n1c23 |(4.99,3.54,;4.22,2.21,;2.68,2.21,;1.91,.87,;2.72,-.77,;1.38,-1.54,;1.38,-3.08,;2.72,-3.85,;.05,-3.85,;-1.28,-3.08,;-2.62,-3.85,;-2.62,-5.39,;-1.28,-6.16,;-4.08,-5.87,;-4.99,-4.62,;-4.08,-3.37,;-4.85,-2.04,;-1.28,-1.54,;-2.62,-.77,;-2.62,.77,;-1.28,1.54,;-1.28,3.08,;-2.62,3.85,;-2.62,5.39,;-1.28,6.16,;.05,5.39,;.05,3.85,;.05,.77,;.05,-.77,)|
Show InChI InChI=1S/C21H20FN5O2/c1-4-24-21-25-18-15(22)8-14(17-11(2)26-29-12(17)3)20-19(18)27(21)16(10-28-20)13-6-5-7-23-9-13/h5-9,16H,4,10H2,1-3H3,(H,24,25)
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