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BDBM50265605 CHEMBL4083304

SMILES: CCNC(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1nn(C)c(=O)cc1OC

InChI Key: InChIKey=OOWKSWYUEJOQPM-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50265605   
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))
BDBM50265605
PNG
(CHEMBL4083304)
Show SMILES CCNC(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1nn(C)c(=O)cc1OC
Show InChI InChI=1S/C21H22N4O4/c1-4-22-21(27)23-14-10-11-17(29-15-8-6-5-7-9-15)16(12-14)20-18(28-3)13-19(26)25(2)24-20/h5-13H,4H2,1-3H3,(H2,22,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+3n/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))
BDBM50265605
PNG
(CHEMBL4083304)
Show SMILES CCNC(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1nn(C)c(=O)cc1OC
Show InChI InChI=1S/C21H22N4O4/c1-4-22-21(27)23-14-10-11-17(29-15-8-6-5-7-9-15)16(12-14)20-18(28-3)13-19(26)25(2)24-20/h5-13H,4H2,1-3H3,(H2,22,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.80E+3n/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