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SMILES: Cn1cc(-c2cc(ccc2Oc2cccc(NCc3cccc(c3)C#N)c2)S(C)(=O)=O)c2cc[nH]c2c1=O

InChI Key: InChIKey=WQADQDUYRWNAIQ-UHFFFAOYSA-N

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 = 390797   
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))
BDBM390797
PNG
(US9957263, Example 60)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3cccc(c3)C#N)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C29H24N4O4S/c1-33-18-26(24-11-12-31-28(24)29(33)34)25-15-23(38(2,35)36)9-10-27(25)37-22-8-4-7-21(14-22)32-17-20-6-3-5-19(13-20)16-30/h3-15,18,31-32H,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2n/an/an/an/an/an/an/an/a



GSK



Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2Q81GDF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390797
PNG
(US9957263, Example 60)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NCc3cccc(c3)C#N)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C29H24N4O4S/c1-33-18-26(24-11-12-31-28(24)29(33)34)25-15-23(38(2,35)36)9-10-27(25)37-22-8-4-7-21(14-22)32-17-20-6-3-5-19(13-20)16-30/h3-15,18,31-32H,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.90n/an/an/an/an/an/an/an/a



GSK



Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2Q81GDF
More data for this
Ligand-Target Pair