BindingDB logo
myBDB logout

BDBM50397665 CHEMBL2017282

SMILES: COc1cc2c3n(-c4ccccc4F)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C

InChI Key: InChIKey=JCZOIJULGKPMDH-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50397665   
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))
BDBM50397665
PNG
(CHEMBL2017282)
Show SMILES COc1cc2c3n(-c4ccccc4F)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C22H17FN4O3/c1-11-20(12(2)30-26-11)14-8-16-13(9-19(14)29-3)21-17(10-24-16)25-22(28)27(21)18-7-5-4-6-15(18)23/h4-10H,1-3H3,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysis


Bioorg Med Chem Lett 22: 2968-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.041
BindingDB Entry DOI: 10.7270/Q2JS9RKN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50397665
PNG
(CHEMBL2017282)
Show SMILES COc1cc2c3n(-c4ccccc4F)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C22H17FN4O3/c1-11-20(12(2)30-26-11)14-8-16-13(9-19(14)29-3)21-17(10-24-16)25-22(28)27(21)18-7-5-4-6-15(18)23/h4-10H,1-3H3,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to human BRD2 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysis


Bioorg Med Chem Lett 22: 2968-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.041
BindingDB Entry DOI: 10.7270/Q2JS9RKN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50397665
PNG
(CHEMBL2017282)
Show SMILES COc1cc2c3n(-c4ccccc4F)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C22H17FN4O3/c1-11-20(12(2)30-26-11)14-8-16-13(9-19(14)29-3)21-17(10-24-16)25-22(28)27(21)18-7-5-4-6-15(18)23/h4-10H,1-3H3,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to BRD3 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysis


Bioorg Med Chem Lett 22: 2968-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.041
BindingDB Entry DOI: 10.7270/Q2JS9RKN
More data for this
Ligand-Target Pair