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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 = 'BDBM50458963'   
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))		BDBM50458963
PNG
(CHEMBL4209902)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
Show InChI InChI=1S/C27H37N7O3/c1-17-26(36)33(3)22-16-28-27(31-24(22)34(17)20-7-5-6-8-20)30-21-10-9-18(15-23(21)37-4)25(35)29-19-11-13-32(2)14-12-19/h9-10,15-17,19-20H,5-8,11-14H2,1-4H3,(H,29,35)(H,28,30,31)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 84n/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