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Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM50458964'   
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))		BDBM50458964
PNG
(CHEMBL4206052)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C(C)C)c2n1)C(=O)NC1CCN(C)CC1 |r|
Show InChI InChI=1S/C25H35N7O3/c1-15(2)32-16(3)24(34)31(5)20-14-26-25(29-22(20)32)28-19-8-7-17(13-21(19)35-6)23(33)27-18-9-11-30(4)12-10-18/h7-8,13-16,18H,9-12H2,1-6H3,(H,27,33)(H,26,28,29)/t16-/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 421n/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