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PDB code 5KU3

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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

  (126/126 = 100%)†
(Homo sapiens (Human))		BDBM50200445
PNG
(CHEMBL3897393 | US9763922, Example 300)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@H]1CCOC1
Show InChI InChI=1/C22H25FN6O2/c1-14(30)28-7-5-21-18(12-28)22(26-29(21)17-6-8-31-13-17)25-20-4-3-15(9-19(20)23)16-10-24-27(2)11-16/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 5.49E+3n/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...

US Patent US9763922 (2017)


BindingDB Entry DOI: 10.7270/Q23N25G6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output