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BDBM274336 (R)-6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-5,6-dihydropyrrolo[3,4-b]pyrrol-4(1H)-one::US9550796, Example 137

SMILES: Cc1nnc2c(C)cc(cn12)N1[C@H](c2c(cc(C3=CCOCC3)n2C)C1=O)c1ccc(Cl)cc1

InChI Key: InChIKey=SMYPWBHABVYAJK-QHCPKHFHSA-N

Data: 3 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 3 hits for monomerid = 274336   
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))
BDBM274336
PNG
((R)-6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-y...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@H](c2c(cc(C3=CCOCC3)n2C)C1=O)c1ccc(Cl)cc1 |r,t:19|
Show InChI InChI=1S/C26H24ClN5O2/c1-15-12-20(14-31-16(2)28-29-25(15)31)32-23(18-4-6-19(27)7-5-18)24-21(26(32)33)13-22(30(24)3)17-8-10-34-11-9-17/h4-8,12-14,23H,9-11H2,1-3H3/t23-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<11n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM274336
PNG
((R)-6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-y...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@H](c2c(cc(C3=CCOCC3)n2C)C1=O)c1ccc(Cl)cc1 |r,t:19|
Show InChI InChI=1S/C26H24ClN5O2/c1-15-12-20(14-31-16(2)28-29-25(15)31)32-23(18-4-6-19(27)7-5-18)24-21(26(32)33)13-22(30(24)3)17-8-10-34-11-9-17/h4-8,12-14,23H,9-11H2,1-3H3/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 590n/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 US9550796 (2017)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM274336
PNG
((R)-6-(4-chlorophenyl)-2-(3,6-dihydro-2H-pyran-4-y...)
Show SMILES Cc1nnc2c(C)cc(cn12)N1[C@H](c2c(cc(C3=CCOCC3)n2C)C1=O)c1ccc(Cl)cc1 |r,t:19|
Show InChI InChI=1S/C26H24ClN5O2/c1-15-12-20(14-31-16(2)28-29-25(15)31)32-23(18-4-6-19(27)7-5-18)24-21(26(32)33)13-22(30(24)3)17-8-10-34-11-9-17/h4-8,12-14,23H,9-11H2,1-3H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/a7.5n/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)


BindingDB Entry DOI: 10.7270/Q2QN68SK
More data for this
Ligand-Target Pair