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Patent code US9738630

Compile Data Set for Download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ezh2


(Homo sapiens (Human))
BDBM335714
PNG
(US9738630, Example 9 | tert-Butyl 4-(5-(1-(sec-but...)
Show SMILES CCC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)NCc1c2ccccc2c(C)[nH]c1=O
PDB

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UniProtKB/SwissProt

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US Patent
n/an/an/an/a<5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335722
PNG
(N-((1,7-Dimethyl-3-oxo-2,3- dihydroisoquinolin-4-y...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3ccc(C)cc3c(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a<50n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335706
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((7-fl...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3ccc(F)cc3c(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a<500n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335705
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-4-methyl...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3ccccc3c(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

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UniProtKB/SwissProt

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US Patent
n/an/an/an/a<50n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335713
PNG
(4'-((1,1-Dioxidothiomorpholino) methyl)-5-(ethyl(t...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3CCCCc3c(C)[nH]c2=O)c1C)-c1ccc(CN2CCS(=O)(=O)CC2)cc1
PDB

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US Patent
n/an/an/an/a<500n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335708
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((6-me...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3cc(OC)ccc3c(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335720
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((1-et...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3ccc(F)cc3c(CC)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

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US Patent
n/an/an/an/a<50n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335706
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((7-fl...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3ccc(F)cc3c(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

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UniProtKB/SwissProt

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US Patent
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335712
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-4-methyl...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3CCCCc3c(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

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UniProtKB/SwissProt

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US Patent
n/an/an/an/a<500n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335707
PNG
(N-((6,7-Dimethoxy-1-methyl-3- oxo-2,3-dihydroisoqu...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3cc(OC)c(OC)cc3c(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335709
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((5-fl...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCC2C(=O)NC(C)c3cccc(F)c23)c1C)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C37H45FN4O4/c1-4-42(29-12-16-45-17-13-29)34-21-28(27-10-8-26(9-11-27)23-41-14-18-46-19-15-41)20-31(24(34)2)36(43)39-22-32-35-30(6-5-7-33(35)38)25(3)40-37(32)44/h5-11,20-21,25,29,32H,4,12-19,22-23H2,1-3H3,(H,39,43)(H,40,44)
PDB

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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335711
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((5-fl...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3c(F)cccc3c(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

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UniProtKB/SwissProt

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US Patent
n/an/an/an/a<50n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335717
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((8-fl...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3cccc(F)c3c(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

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UniProtKB/SwissProt

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US Patent
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335723
PNG
(2,2-Dimethyl-N-((1-methyl-3- oxo-2,3-dihydroisoqui...)
Show SMILES Cc1[nH]c(=O)c(CNC(=O)c2cc3CC(C)(C)Oc3c(c2)-c2ccc(nc2)N2CCNCC2)c2ccccc12
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a<5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335716
PNG
(N-((6,8-Difluoro-1-methyl-3-oxo- 2,3-dihydroisoqui...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3cc(F)cc(F)c3c(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

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UniProtKB/SwissProt

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US Patent
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335719
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((1-et...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3ccccc3c(CC)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

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UniProtKB/SwissProt

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US Patent
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Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335715
PNG
(1-(sec-Butyl)-3-methyl-N-((1- methyl-3-oxo-2,3- di...)
Show SMILES CCC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c2ccccc2c(C)[nH]c1=O
PDB

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UniProtKB/SwissProt

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n/an/an/an/a<500n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those sk...


US Patent US9738630 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%