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Patent code US10815241

Compile Data Set for Download or QSAR
Found 10 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM470585
PNG
(US10815241, Example 10)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2[C@@H](F)C3)C1
Show InChI InChI=1S/C30H38F2N6O3/c1-17(2)38(18(3)4)28(39)22-9-19(31)5-8-24(22)41-25-11-33-16-34-27(25)36-12-30(13-36)14-37(15-30)29(40)26-21-7-6-20(35-26)10-23(21)32/h5,8-9,11,16-18,20-21,23,26,35H,6-7,10,12-15H2,1-4H3/t20-,21+,23-,26-/m0/s1
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details
More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM470578
PNG
(US10815241, Example 3)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2C[C@@H]3CC2CC2)C1
Show InChI InChI=1S/C34H45FN6O3/c1-20(2)41(21(3)4)32(42)26-13-25(35)8-10-28(26)44-29-14-36-19-37-31(29)39-15-34(16-39)17-40(18-34)33(43)30-23-7-9-27(38-30)24(12-23)11-22-5-6-22/h8,10,13-14,19-24,27,30,38H,5-7,9,11-12,15-18H2,1-4H3/t23-,24+,27+,30+/m1/s1
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details
More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM470581
PNG
(5-Fluoro-2-[(4-{7-[(1S,3S,4R)-5-methylidene-2-azab...)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1C(=C)C2
Show InChI InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)26-15-23(34)6-9-27(26)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-25-8-7-24(37-29)14-22(25)5/h6,9,15-16,19-21,24-25,29,37H,5,7-8,10-14,17-18H2,1-4H3/t24-,25+,29-/m0/s1
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details
More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM470582
PNG
(US10815241, Example 7)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2C(=C)C3)C1
Show InChI InChI=1S/C31H39FN6O3/c1-18(2)38(19(3)4)29(39)24-11-21(32)6-9-25(24)41-26-12-33-17-34-28(26)36-13-31(14-36)15-37(16-31)30(40)27-23-8-7-22(35-27)10-20(23)5/h6,9,11-12,17-19,22-23,27,35H,5,7-8,10,13-16H2,1-4H3/t22-,23+,27-/m0/s1
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n/an/a<3n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details
More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM470580
PNG
(US10815241, Example 5)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2C[C@H]3CC2CC2)C1
Show InChI InChI=1S/C34H45FN6O3/c1-20(2)41(21(3)4)32(42)26-13-25(35)8-10-28(26)44-29-14-36-19-37-31(29)39-15-34(16-39)17-40(18-34)33(43)30-23-7-9-27(38-30)24(12-23)11-22-5-6-22/h8,10,13-14,19-24,27,30,38H,5-7,9,11-12,15-18H2,1-4H3/t23-,24-,27+,30+/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details
More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM470577
PNG
(2-[(4-{7-[(1S,3S,4R,6S)-6-(Cyclopropylmethyl)-2-az...)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1C[C@@H]2CC1CC1
Show InChI InChI=1S/C36H49FN6O3/c1-22(2)43(23(3)4)34(44)28-17-27(37)8-10-30(28)46-31-18-38-21-39-33(31)42-19-36(20-42)11-13-41(14-12-36)35(45)32-25-7-9-29(40-32)26(16-25)15-24-5-6-24/h8,10,17-18,21-26,29,32,40H,5-7,9,11-16,19-20H2,1-4H3/t25-,26+,29+,32+/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details
More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM470584
PNG
(US10815241, Example 9)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)[C@H]2N[C@H]3CC[C@@H]2CC3=C)C1
Show InChI InChI=1S/C31H39FN6O3/c1-18(2)38(19(3)4)29(39)23-11-22(32)7-9-25(23)41-26-12-33-17-34-28(26)36-13-31(14-36)15-37(16-31)30(40)27-21-6-8-24(35-27)20(5)10-21/h7,9,11-12,17-19,21,24,27,35H,5-6,8,10,13-16H2,1-4H3/t21-,24+,27+/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details
More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM470586
PNG
(US10815241, Example 11)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CN(C2)C(=O)C2NC3CCC2CC3)C1
Show InChI InChI=1S/C30H39FN6O3/c1-18(2)37(19(3)4)28(38)23-11-21(31)7-10-24(23)40-25-12-32-17-33-27(25)35-13-30(14-35)15-36(16-30)29(39)26-20-5-8-22(34-26)9-6-20/h7,10-12,17-20,22,26,34H,5-6,8-9,13-16H2,1-4H3
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details
More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM470579
PNG
(US10815241, Example 4)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1C[C@H]2CC1CC1
Show InChI InChI=1S/C36H49FN6O3/c1-22(2)43(23(3)4)34(44)28-17-27(37)8-10-30(28)46-31-18-38-21-39-33(31)42-19-36(20-42)11-13-41(14-12-36)35(45)32-25-7-9-29(40-32)26(16-25)15-24-5-6-24/h8,10,17-18,21-26,29,32,40H,5-7,9,11-16,19-20H2,1-4H3/t25-,26-,29+,32+/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


Citation and Details
More data for this
Ligand-Target Pair
Menin/Histone-lysine N-methyltransferase MLL


(Homo sapiens (Human))
BDBM470583
PNG
(US10815241, Example 8)
Show SMILES CC(C)N(C(C)C)C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C(=O)[C@H]1N[C@H]2CC[C@@H]1CC2=C
Show InChI InChI=1S/C33H43FN6O3/c1-20(2)40(21(3)4)31(41)25-15-24(34)7-9-27(25)43-28-16-35-19-36-30(28)39-17-33(18-39)10-12-38(13-11-33)32(42)29-23-6-8-26(37-29)22(5)14-23/h7,9,15-16,19-21,23,26,29,37H,5-6,8,10-14,17-18H2,1-4H3/t23-,26+,29+/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a


TBA

Assay Description
Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Me...


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