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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 = 'BDBM318614'   
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))		BDBM318614
PNG
(Methyl {(3R)-1-[(4S)-7-(3,5-dimethylisoxazol-4-yl)...)
Show SMILES COC(=O)N[C@@H]1CCN(C1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wU:5.4,wD:26.28,(6.88,3.1,;5.79,4.19,;4.3,3.79,;3.9,2.3,;3.21,4.88,;1.73,4.48,;.26,4.95,;-.64,3.71,;.26,2.46,;1.73,2.94,;-.51,1.13,;.26,-.21,;-.51,-1.54,;-.51,-3.08,;-1.84,-3.85,;-3.18,-3.08,;-4.51,-3.85,;-4.51,-5.39,;-3.18,-6.16,;-5.97,-5.87,;-6.88,-4.62,;-5.97,-3.37,;-6.74,-2.04,;-3.18,-1.54,;-4.51,-.77,;-4.51,.77,;-3.18,1.54,;-3.18,3.08,;-4.51,3.85,;-4.51,5.39,;-3.18,6.16,;-1.84,5.39,;-1.84,3.85,;-1.84,.77,;-1.84,-.77,)|
Show InChI InChI=1S/C25H26N6O4/c1-14-21(15(2)35-29-14)17-7-8-19-22-23(17)34-13-20(18-6-4-5-10-26-18)31(22)24(28-19)30-11-9-16(12-30)27-25(32)33-3/h4-8,10,16,20H,9,11-13H2,1-3H3,(H,27,32)/t16-,20-/m1/s1
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