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BDBM450978 1-Chloro-8-(2,4-dimethylpyrimidin-5-yl)-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)imidazo[1,5-c]pyrimidin-5-amine::US10676479, Example 10

SMILES: Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O

InChI Key: InChIKey=UNASHSXBPRWRBJ-UHFFFAOYSA-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 = 450978   
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
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM450978
PNG
(1-Chloro-8-(2,4-dimethylpyrimidin-5-yl)-N-((5-fluo...)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-13-14(4-3-8-24-13)17-11-26-22(28-12-27-21(20(17)28)32(2,29)30)25-10-16-15-7-9-31-19(15)6-5-18(16)23/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/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 ...


US Patent US10676479 (2020)

More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM450978
PNG
(1-Chloro-8-(2,4-dimethylpyrimidin-5-yl)-N-((5-fluo...)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-13-14(4-3-8-24-13)17-11-26-22(28-12-27-21(20(17)28)32(2,29)30)25-10-16-15-7-9-31-19(15)6-5-18(16)23/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.80n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of EED ( 1 to 441 residues) (unknown origin) pre-incubated for 15 mins before biotin-H3K27me3 (19 to 33 residues) addition and further inc...


J Med Chem 63: 7252-7267 (2020)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM450978
PNG
(1-Chloro-8-(2,4-dimethylpyrimidin-5-yl)-N-((5-fluo...)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-13-14(4-3-8-24-13)17-11-26-22(28-12-27-21(20(17)28)32(2,29)30)25-10-16-15-7-9-31-19(15)6-5-18(16)23/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10676479 (2020)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM450978
PNG
(1-Chloro-8-(2,4-dimethylpyrimidin-5-yl)-N-((5-fluo...)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-13-14(4-3-8-24-13)17-11-26-22(28-12-27-21(20(17)28)32(2,29)30)25-10-16-15-7-9-31-19(15)6-5-18(16)23/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.5n/an/an/an/an/an/a



Novartis AG

US Patent


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


US Patent US10676479 (2020)

More data for this
Ligand-Target Pair