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BDBM150113 US8975417, 181

SMILES: CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(F)cc1F

InChI Key: InChIKey=PXLJQXYHONWMKB-UHFFFAOYNA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 150113   
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 3


(Homo sapiens (Human))
BDBM150113
PNG
(US8975417, 181)
Show SMILES CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(F)cc1F
Show InChI InChI=1/C22H20F2N6O/c1-5-29-20-18(12(3)27-29)19(16-7-6-14(23)9-17(16)24)30(22(20)31)15-8-11(2)21-26-25-13(4)28(21)10-15/h6-10,19H,5H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 40n/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))
BDBM150113
PNG
(US8975417, 181)
Show SMILES CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(F)cc1F
Show InChI InChI=1/C22H20F2N6O/c1-5-29-20-18(12(3)27-29)19(16-7-6-14(23)9-17(16)24)30(22(20)31)15-8-11(2)21-26-25-13(4)28(21)10-15/h6-10,19H,5H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 62n/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))
BDBM150113
PNG
(US8975417, 181)
Show SMILES CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(F)cc1F
Show InChI InChI=1/C22H20F2N6O/c1-5-29-20-18(12(3)27-29)19(16-7-6-14(23)9-17(16)24)30(22(20)31)15-8-11(2)21-26-25-13(4)28(21)10-15/h6-10,19H,5H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 34n/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))
BDBM150113
PNG
(US8975417, 181)
Show SMILES CCn1nc(C)c2C(N(C(=O)c12)c1cc(C)c2nnc(C)n2c1)c1ccc(F)cc1F
Show InChI InChI=1/C22H20F2N6O/c1-5-29-20-18(12(3)27-29)19(16-7-6-14(23)9-17(16)24)30(22(20)31)15-8-11(2)21-26-25-13(4)28(21)10-15/h6-10,19H,5H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>3.70E+4n/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