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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 = 'BDBM50458973'   
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))		BDBM50458973
PNG
(CHEMBL4212346)
Show SMILES COC(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3n2)c(OC2CCCC2)c1 |r|
Show InChI InChI=1S/C26H33N5O4/c1-16-24(32)30(2)21-15-27-26(29-23(21)31(16)18-8-4-5-9-18)28-20-13-12-17(25(33)34-3)14-22(20)35-19-10-6-7-11-19/h12-16,18-19H,4-11H2,1-3H3,(H,27,28,29)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 253n/an/an/an/an/an/a



University of Massachusetts-Boston

Curated by ChEMBL


Assay Description
Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay

J Med Chem 61: 7785-7795 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00765
BindingDB Entry DOI: 10.7270/Q2MP55WQ
More data for this
Ligand-Target Pair