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2 similar compounds to monomer 50148385

Compile data set for download or QSAR
Wt: 458.5
BDBM50148387
Wt: 357.4
BDBM50148388

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50148387,50148388   
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))
BDBM50148388
PNG
(CHEMBL3770367)
Show SMILES CNC(=N)c1cc2c(s1)c(cn(C)c2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H19N3O3S/c1-20-17(19)15-8-11-16(25-15)12(9-21(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H2,19,20)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/acs.jmedchem.5b00256
BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148388
PNG
(CHEMBL3770367)
Show SMILES CNC(=N)c1cc2c(s1)c(cn(C)c2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H19N3O3S/c1-20-17(19)15-8-11-16(25-15)12(9-21(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H2,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/acs.jmedchem.5b00256
BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148387
PNG
(CHEMBL3769944)
Show SMILES CN(C)c1cccc(c1)-c1cn(C)c(=O)c2cc(sc12)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H26N4O3S2/c1-25(2)16-6-4-5-14(11-16)18-13-26(3)22(27)17-12-19(30-20(17)18)21(23)24-15-7-9-31(28,29)10-8-15/h4-6,11-13,15H,7-10H2,1-3H3,(H2,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/acs.jmedchem.5b00256
BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148387
PNG
(CHEMBL3769944)
Show SMILES CN(C)c1cccc(c1)-c1cn(C)c(=O)c2cc(sc12)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C22H26N4O3S2/c1-25(2)16-6-4-5-14(11-16)18-13-26(3)22(27)17-12-19(30-20(17)18)21(23)24-15-7-9-31(28,29)10-8-15/h4-6,11-13,15H,7-10H2,1-3H3,(H2,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/acs.jmedchem.5b00256
BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair