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3 similar compounds to monomer 50380668

Compile data set for download or QSAR
Wt: 359.3
BDBM50380666
Wt: 414.4
BDBM50380667
Wt: 377.3
BDBM50397669

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50380666,50380667,50397669   
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))
BDBM50397669
PNG
(CHEMBL2181818)
Show SMILES Cc1noc(C)c1-c1ccc2c(Nc3ccccc3F)c(cnc2c1)C(O)=O
Show InChI InChI=1S/C21H16FN3O3/c1-11-19(12(2)28-25-11)13-7-8-14-18(9-13)23-10-15(21(26)27)20(14)24-17-6-4-3-5-16(17)22/h3-10H,1-2H3,(H,23,24)(H,26,27)
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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))
BDBM50397669
PNG
(CHEMBL2181818)
Show SMILES Cc1noc(C)c1-c1ccc2c(Nc3ccccc3F)c(cnc2c1)C(O)=O
Show InChI InChI=1S/C21H16FN3O3/c1-11-19(12(2)28-25-11)13-7-8-14-18(9-13)23-10-15(21(26)27)20(14)24-17-6-4-3-5-16(17)22/h3-10H,1-2H3,(H,23,24)(H,26,27)
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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
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50397669
PNG
(CHEMBL2181818)
Show SMILES Cc1noc(C)c1-c1ccc2c(Nc3ccccc3F)c(cnc2c1)C(O)=O
Show InChI InChI=1S/C21H16FN3O3/c1-11-19(12(2)28-25-11)13-7-8-14-18(9-13)23-10-15(21(26)27)20(14)24-17-6-4-3-5-16(17)22/h3-10H,1-2H3,(H,23,24)(H,26,27)
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n/an/a 1.58E+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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50380667
PNG
(CHEMBL2017268)
Show SMILES Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C25H26N4O2/c1-14-22(15(2)31-29-14)16-10-11-17-21(12-16)27-13-18(24(26)30)23(17)28-20-9-7-6-8-19(20)25(3,4)5/h6-13H,1-5H3,(H2,26,30)(H,27,28)
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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))
BDBM50380667
PNG
(CHEMBL2017268)
Show SMILES Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C25H26N4O2/c1-14-22(15(2)31-29-14)16-10-11-17-21(12-16)27-13-18(24(26)30)23(17)28-20-9-7-6-8-19(20)25(3,4)5/h6-13H,1-5H3,(H2,26,30)(H,27,28)
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n/an/a 700n/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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50380666
PNG
(CHEMBL2017091)
Show SMILES Cc1noc(C)c1-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(O)=O
Show InChI InChI=1S/C21H17N3O3/c1-12-19(13(2)27-24-12)14-8-9-16-18(10-14)22-11-17(21(25)26)20(16)23-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,22,23)(H,25,26)
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n/an/a>3.30E+4n/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))
BDBM50380666
PNG
(CHEMBL2017091)
Show SMILES Cc1noc(C)c1-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(O)=O
Show InChI InChI=1S/C21H17N3O3/c1-12-19(13(2)27-24-12)14-8-9-16-18(10-14)22-11-17(21(25)26)20(16)23-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,22,23)(H,25,26)
PDB
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Article
PubMed
n/an/a>3.30E+4n/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