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BDBM291905 N-(benzofuran-4-ylmethyl)-8-(4-((1-methylpiperidin-4-yl)sulfonyl)phenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine::US9580437, Example 220

SMILES: CN1CCC(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(NCc2cccc3occc23)n2cnnc12

InChI Key: InChIKey=VZTRXNJTMMFEKF-UHFFFAOYSA-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 = 291905   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291905
PNG
(N-(benzofuran-4-ylmethyl)-8-(4-((1-methylpiperidin...)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(NCc2cccc3occc23)n2cnnc12
Show InChI InChI=1S/C26H26N6O3S/c1-31-12-9-21(10-13-31)36(33,34)20-7-5-18(6-8-20)23-16-28-26(32-17-29-30-25(23)32)27-15-19-3-2-4-24-22(19)11-14-35-24/h2-8,11,14,16-17,21H,9-10,12-13,15H2,1H3,(H,27,28)
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US Patent
n/an/a 14.1n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291905
PNG
(N-(benzofuran-4-ylmethyl)-8-(4-((1-methylpiperidin...)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(NCc2cccc3occc23)n2cnnc12
Show InChI InChI=1S/C26H26N6O3S/c1-31-12-9-21(10-13-31)36(33,34)20-7-5-18(6-8-20)23-16-28-26(32-17-29-30-25(23)32)27-15-19-3-2-4-24-22(19)11-14-35-24/h2-8,11,14,16-17,21H,9-10,12-13,15H2,1H3,(H,27,28)
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n/an/a 467n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291905
PNG
(N-(benzofuran-4-ylmethyl)-8-(4-((1-methylpiperidin...)
Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(NCc2cccc3occc23)n2cnnc12
Show InChI InChI=1S/C26H26N6O3S/c1-31-12-9-21(10-13-31)36(33,34)20-7-5-18(6-8-20)23-16-28-26(32-17-29-30-25(23)32)27-15-19-3-2-4-24-22(19)11-14-35-24/h2-8,11,14,16-17,21H,9-10,12-13,15H2,1H3,(H,27,28)
PDB

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antibodypedia
antibodypedia
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US Patent
n/an/a 21.6n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair