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BDBM50148458 CHEMBL3770039

SMILES: CNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1ccc(OC)c(OC)c1

InChI Key: InChIKey=NMMSMXOCHXLFTJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50148458   
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 9


(Homo sapiens (Human))
BDBM50148458
PNG
(CHEMBL3770039)
Show SMILES CNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H18N2O4S/c1-19-17(21)15-8-11-16(25-15)12(9-20(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148458
PNG
(CHEMBL3770039)
Show SMILES CNC(=O)c1cc2c(s1)c(cn(C)c2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H18N2O4S/c1-19-17(21)15-8-11-16(25-15)12(9-20(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair