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2 similar compounds to monomer 50380676

Compile data set for download or QSAR
Wt: 470.4
BDBM50380677
Wt: 404.3
BDBM50397665

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50380677,50397665   
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 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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50380677
PNG
(CHEMBL2017284)
Show SMILES COc1cc2c3n(-c4ccccc4OC(F)(F)F)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C23H17F3N4O4/c1-11-20(12(2)34-29-11)14-8-15-13(9-19(14)32-3)21-16(10-27-15)28-22(31)30(21)17-6-4-5-7-18(17)33-23(24,25)26/h4-10H,1-3H3,(H,28,31)
PDB
MMDB

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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 22: 2963-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.125
BindingDB Entry DOI: 10.7270/Q2ZC83VK
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50380677
PNG
(CHEMBL2017284)
Show SMILES COc1cc2c3n(-c4ccccc4OC(F)(F)F)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C23H17F3N4O4/c1-11-20(12(2)34-29-11)14-8-15-13(9-19(14)32-3)21-16(10-27-15)28-22(31)30(21)17-6-4-5-7-18(17)33-23(24,25)26/h4-10H,1-3H3,(H,28,31)
PDB
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 22: 2963-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.125
BindingDB Entry DOI: 10.7270/Q2ZC83VK
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