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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 538.9
BDBM380759

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM380759
PNG
(6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-methyl-...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1)C1=CCOCC1 |t:37|
Show InChI InChI=1S/C27H25ClF2N6O2/c1-14(2)35-22-20(31-25(35)17-8-10-38-11-9-17)27(37)36(21(22)16-4-6-18(28)7-5-16)19-12-15(3)24-32-33-26(23(29)30)34(24)13-19/h4-8,12-14,21,23H,9-11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



Amgen



Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


Cancer Res 66: 8715-21 (2006)


BindingDB Entry DOI: 10.7270/Q2TM7DFQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM380759
PNG
(6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-methyl-...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1)C1=CCOCC1 |t:37|
Show InChI InChI=1S/C27H25ClF2N6O2/c1-14(2)35-22-20(31-25(35)17-8-10-38-11-9-17)27(37)36(21(22)16-4-6-18(28)7-5-16)19-12-15(3)24-32-33-26(23(29)30)34(24)13-19/h4-8,12-14,21,23H,9-11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 44n/an/an/an/an/an/a



Amgen



Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


Cancer Res 66: 8715-21 (2006)


BindingDB Entry DOI: 10.7270/Q2TM7DFQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM380759
PNG
(6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-methyl-...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1)C1=CCOCC1 |t:37|
Show InChI InChI=1S/C27H25ClF2N6O2/c1-14(2)35-22-20(31-25(35)17-8-10-38-11-9-17)27(37)36(21(22)16-4-6-18(28)7-5-16)19-12-15(3)24-32-33-26(23(29)30)34(24)13-19/h4-8,12-14,21,23H,9-11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/an/an/an/an/an/a



Amgen



Assay Description
All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...


Cancer Res 66: 8715-21 (2006)


BindingDB Entry DOI: 10.7270/Q2TM7DFQ
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM380759
PNG
(6-(4-chlorophenyl)-5-(3-(difluoromethyl)-8-methyl-...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C(F)F)n2c1)C1=CCOCC1 |t:37|
Show InChI InChI=1S/C27H25ClF2N6O2/c1-14(2)35-22-20(31-25(35)17-8-10-38-11-9-17)27(37)36(21(22)16-4-6-18(28)7-5-16)19-12-15(3)24-32-33-26(23(29)30)34(24)13-19/h4-8,12-14,21,23H,9-11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.43E+4n/an/an/an/an/an/a



Amgen



Assay Description
In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the ...


Cancer Res 66: 8715-21 (2006)


BindingDB Entry DOI: 10.7270/Q2TM7DFQ
More data for this
Ligand-Target Pair