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BDBM50443256 CHEMBL3086891

SMILES: Cc1cc(cc(C)c1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cn1

InChI Key: InChIKey=WNCKBBYSIBZELD-UHFFFAOYSA-N

Data: 2 KI

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 = 50443256   
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))
BDBM50443256
PNG
(CHEMBL3086891)
Show SMILES Cc1cc(cc(C)c1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C19H17ClN4O3S/c1-12-9-16(10-13(2)19(12)25)23-22-15-4-6-17(7-5-15)28(26,27)24-18-8-3-14(20)11-21-18/h3-11,25H,1-2H3,(H,21,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
730n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD1 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)


Article DOI: 10.1021/jm401334s
BindingDB Entry DOI: 10.7270/Q2ZW1NCF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50443256
PNG
(CHEMBL3086891)
Show SMILES Cc1cc(cc(C)c1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C19H17ClN4O3S/c1-12-9-16(10-13(2)19(12)25)23-22-15-4-6-17(7-5-15)28(26,27)24-18-8-3-14(20)11-21-18/h3-11,25H,1-2H3,(H,21,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.84E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD2 after 1 hr by fluorescence anisotropy assay


J Med Chem 56: 9251-64 (2013)


Article DOI: 10.1021/jm401334s
BindingDB Entry DOI: 10.7270/Q2ZW1NCF
More data for this
Ligand-Target Pair