BindingDB logo
myBDB logout

null

SMILES: Cn1cc-2c(OCCCCc3cc(Cl)ccc3Oc3ccc(CS(C)(=O)=O)cc-23)cc1=O

InChI Key: InChIKey=VQUNBKUXJFPQGY-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 = 50265659   
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))
BDBM50265659
PNG
(CHEMBL4089651)
Show SMILES Cn1cc-2c(OCCCCc3cc(Cl)ccc3Oc3ccc(CS(C)(=O)=O)cc-23)cc1=O
Show InChI InChI=1S/C24H24ClNO5S/c1-26-14-20-19-11-16(15-32(2,28)29)6-8-22(19)31-21-9-7-18(25)12-17(21)5-3-4-10-30-23(20)13-24(26)27/h6-9,11-14H,3-5,10,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...


J Med Chem 60: 3828-3850 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00017
BindingDB Entry DOI: 10.7270/Q2BR8VPN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50265659
PNG
(CHEMBL4089651)
Show SMILES Cn1cc-2c(OCCCCc3cc(Cl)ccc3Oc3ccc(CS(C)(=O)=O)cc-23)cc1=O
Show InChI InChI=1S/C24H24ClNO5S/c1-26-14-20-19-11-16(15-32(2,28)29)6-8-22(19)31-21-9-7-18(25)12-17(21)5-3-4-10-30-23(20)13-24(26)27/h6-9,11-14H,3-5,10,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 18n/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay


J Med Chem 60: 3828-3850 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00017
BindingDB Entry DOI: 10.7270/Q2BR8VPN
More data for this
Ligand-Target Pair