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SMILES: CCS(=O)(=O)Nc1cnc2Oc3ccc(Cl)cc3CCCCOc3cc(=O)n(C)cc3-c2c1

InChI Key: InChIKey=KDSKWYPIXDDXEG-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 = 50265657   
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))
BDBM50265657
PNG
(CHEMBL4075776)
Show SMILES CCS(=O)(=O)Nc1cnc2Oc3ccc(Cl)cc3CCCCOc3cc(=O)n(C)cc3-c2c1
Show InChI InChI=1S/C23H24ClN3O5S/c1-3-33(29,30)26-17-11-18-19-14-27(2)22(28)12-21(19)31-9-5-4-6-15-10-16(24)7-8-20(15)32-23(18)25-13-17/h7-8,10-14,26H,3-6,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40n/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))
BDBM50265657
PNG
(CHEMBL4075776)
Show SMILES CCS(=O)(=O)Nc1cnc2Oc3ccc(Cl)cc3CCCCOc3cc(=O)n(C)cc3-c2c1
Show InChI InChI=1S/C23H24ClN3O5S/c1-3-33(29,30)26-17-11-18-19-14-27(2)22(28)12-21(19)31-9-5-4-6-15-10-16(24)7-8-20(15)32-23(18)25-13-17/h7-8,10-14,26H,3-6,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.30n/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