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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 = 'BDBM50458965'   
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))		BDBM50458965
PNG
(CHEMBL4210571)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCN(C)C |r|
Show InChI InChI=1S/C25H35N7O3/c1-16-24(34)31(4)20-15-27-25(29-22(20)32(16)18-8-6-7-9-18)28-19-11-10-17(14-21(19)35-5)23(33)26-12-13-30(2)3/h10-11,14-16,18H,6-9,12-13H2,1-5H3,(H,26,33)(H,27,28,29)/t16-/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 104n/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