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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM329786'   
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


(Homo sapiens (Human))		BDBM329786
PNG
(Preparation of 2-[(4R)-6-(4-chlorophenyl)-1-methyl...)
Show SMILES Cc1nnc2[C@H](CC(=O)N3CC4(COC4)C3)C=C(c3ccc(Cl)cc3)c3cc(OC(F)(F)F)ccc3-n12 |r,t:18|
Show InChI InChI=1S/C26H22ClF3N4O3/c1-15-31-32-24-17(9-23(35)33-11-25(12-33)13-36-14-25)8-20(16-2-4-18(27)5-3-16)21-10-19(37-26(28,29)30)6-7-22(21)34(15)24/h2-8,10,17H,9,11-14H2,1H3/t17-/m0/s1
PDB

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PC cid
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US Patent
n/an/a 220n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...

US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair