BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.8
BDBM150103

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))
BDBM150103
PNG
(US8975417, 171)
Show SMILES CCn1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1F)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H20ClFN4O2/c1-5-26-12(3)17-18(24-26)21(29)27(14-8-11(2)20(28)25(4)10-14)19(17)15-7-6-13(22)9-16(15)23/h6-10,19H,5H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 93n/an/an/an/a7.530



Novartis AG

US Patent


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...


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM150103
PNG
(US8975417, 171)
Show SMILES CCn1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1F)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H20ClFN4O2/c1-5-26-12(3)17-18(24-26)21(29)27(14-8-11(2)20(28)25(4)10-14)19(17)15-7-6-13(22)9-16(15)23/h6-10,19H,5H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 140n/an/an/an/a7.530



Novartis AG

US Patent


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...


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM150103
PNG
(US8975417, 171)
Show SMILES CCn1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1F)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H20ClFN4O2/c1-5-26-12(3)17-18(24-26)21(29)27(14-8-11(2)20(28)25(4)10-14)19(17)15-7-6-13(22)9-16(15)23/h6-10,19H,5H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 140n/an/an/an/a7.530



Novartis AG

US Patent


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...


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM150103
PNG
(US8975417, 171)
Show SMILES CCn1nc2C(=O)N(C(c2c1C)c1ccc(Cl)cc1F)c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C21H20ClFN4O2/c1-5-26-12(3)17-18(24-26)21(29)27(14-8-11(2)20(28)25(4)10-14)19(17)15-7-6-13(22)9-16(15)23/h6-10,19H,5H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.50E+3n/an/an/an/a7.530



Novartis AG

US Patent


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 ...


US Patent US8975417 (2015)


BindingDB Entry DOI: 10.7270/Q2NK3CRX
More data for this
Ligand-Target Pair