BindingDB logo
myBDB logout

BDBM50251042 CHEMBL4090589

SMILES: CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=JDTAORAKBXNSTE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50251042   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50251042
PNG
(CHEMBL4090589)
Show SMILES CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3OS/c1-23-7-6-11-12(8-23)25-16-13(11)15(24)21-14(22-16)9-2-4-10(5-3-9)17(18,19)20/h2-5H,6-8H2,1H3,(H,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incu...

J Med Chem 60: 9990-10012 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00275
BindingDB Entry DOI: 10.7270/Q2M32Z68
More data for this
Ligand-Target Pair