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BDBM274257 (R)-6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-methyl-5,6-dihydropyrrolo[3,4-b]pyrrol-4(1H)-one::US9550796, Example 54

SMILES: COc1ncc(-c2cc3C(=O)N([C@@H](c3n2C)c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)c(OC)n1

InChI Key: InChIKey=QLRYSHYUZMZZPY-OAQYLSRUSA-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 = 274257   
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))
BDBM274257
PNG
((R)-6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5...)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@@H](c3n2C)c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C26H24ClN5O4/c1-14-10-17(13-30(2)24(14)33)32-21(15-6-8-16(27)9-7-15)22-18(25(32)34)11-20(31(22)3)19-12-28-26(36-5)29-23(19)35-4/h6-13,21H,1-5H3/t21-/m1/s1
PDB

GoogleScholar
AffyNet 
UniChem
n/an/a 45n/an/an/an/an/an/a



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 US9550796 (2017)

More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (human))
BDBM274257
PNG
((R)-6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5...)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@@H](c3n2C)c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C26H24ClN5O4/c1-14-10-17(13-30(2)24(14)33)32-21(15-6-8-16(27)9-7-15)22-18(25(32)34)11-20(31(22)3)19-12-28-26(36-5)29-23(19)35-4/h6-13,21H,1-5H3/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
n/an/a 91n/an/an/an/an/an/a



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 US9550796 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM274257
PNG
((R)-6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5...)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@@H](c3n2C)c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C26H24ClN5O4/c1-14-10-17(13-30(2)24(14)33)32-21(15-6-8-16(27)9-7-15)22-18(25(32)34)11-20(31(22)3)19-12-28-26(36-5)29-23(19)35-4/h6-13,21H,1-5H3/t21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
n/an/a 28n/an/an/an/an/an/a



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 US9550796 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM274257
PNG
((R)-6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5...)
Show SMILES COc1ncc(-c2cc3C(=O)N([C@@H](c3n2C)c2ccc(Cl)cc2)c2cc(C)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C26H24ClN5O4/c1-14-10-17(13-30(2)24(14)33)32-21(15-6-8-16(27)9-7-15)22-18(25(32)34)11-20(31(22)3)19-12-28-26(36-5)29-23(19)35-4/h6-13,21H,1-5H3/t21-/m1/s1
GoogleScholar
AffyNet 
UniChem
n/an/a 27n/an/an/an/an/an/a



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 US9550796 (2017)

More data for this
Ligand-Target Pair