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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 516.0
BDBM380663

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 3


(Homo sapiens (Human))
BDBM380663
PNG
(6-(4-Chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCN(C)CC1 |t:35|
Show InChI InChI=1S/C28H30ClN7O/c1-16(2)35-25-23(30-27(35)20-10-12-33(5)13-11-20)28(37)36(24(25)19-6-8-21(29)9-7-19)22-14-17(3)26-32-31-18(4)34(26)15-22/h6-10,14-16,24H,11-13H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 23.5n/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 4


(Homo sapiens (Human))
BDBM380663
PNG
(6-(4-Chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCN(C)CC1 |t:35|
Show InChI InChI=1S/C28H30ClN7O/c1-16(2)35-25-23(30-27(35)20-10-12-33(5)13-11-20)28(37)36(24(25)19-6-8-21(29)9-7-19)22-14-17(3)26-32-31-18(4)34(26)15-22/h6-10,14-16,24H,11-13H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/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))
BDBM380663
PNG
(6-(4-Chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCN(C)CC1 |t:35|
Show InChI InChI=1S/C28H30ClN7O/c1-16(2)35-25-23(30-27(35)20-10-12-33(5)13-11-20)28(37)36(24(25)19-6-8-21(29)9-7-19)22-14-17(3)26-32-31-18(4)34(26)15-22/h6-10,14-16,24H,11-13H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 41n/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))
BDBM380663
PNG
(6-(4-Chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo...)
Show SMILES CC(C)n1c(nc2C(=O)N(C(c12)c1ccc(Cl)cc1)c1cc(C)c2nnc(C)n2c1)C1=CCN(C)CC1 |t:35|
Show InChI InChI=1S/C28H30ClN7O/c1-16(2)35-25-23(30-27(35)20-10-12-33(5)13-11-20)28(37)36(24(25)19-6-8-21(29)9-7-19)22-14-17(3)26-32-31-18(4)34(26)15-22/h6-10,14-16,24H,11-13H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40E+3n/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