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BDBM50071106 CHEMBL3410002

SMILES: Cc1c(N)cc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1

InChI Key: InChIKey=BMXFOLOGRGMELZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50071106   
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))
BDBM50071106
PNG
(CHEMBL3410002)
Show SMILES Cc1c(N)cc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C15H19N3O3S2/c1-9-12(16)6-10(13-8-22-15(19)17-13)7-14(9)23(20,21)18-11-4-2-3-5-11/h6-8,11,18H,2-5,16H2,1H3,(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by Alphascreen assay


Eur J Med Chem 152: 264-273 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.048
BindingDB Entry DOI: 10.7270/Q2T43WP9
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50071106
PNG
(CHEMBL3410002)
Show SMILES Cc1c(N)cc(cc1S(=O)(=O)NC1CCCC1)-c1csc(=O)[nH]1
Show InChI InChI=1S/C15H19N3O3S2/c1-9-12(16)6-10(13-8-22-15(19)17-13)7-14(9)23(20,21)18-11-4-2-3-5-11/h6-8,11,18H,2-5,16H2,1H3,(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy


J Med Chem 58: 1281-97 (2015)


Article DOI: 10.1021/jm501504k
BindingDB Entry DOI: 10.7270/Q2P270TX
More data for this
Ligand-Target Pair