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Patent code US10954193

Compile Data Set for Download or QSAR
Found 147 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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487532
PNG
(US10954193, Example 76)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C29H34ClN3O3/c1-17-15-22(16-18(2)28(17)30)36-14-8-11-23-20(4)33(13-12-26(34)35)29-24(23)9-7-10-25(29)27-19(3)31-32(6)21(27)5/h7,9-10,15-16H,8,11-14H2,1-6H3,(H,34,35)
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7n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487555
PNG
(US10954193, Example 100)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(O)=O)c12
Show InChI InChI=1S/C33H34ClN3O3/c1-19-15-26(16-20(2)31(19)34)40-14-8-13-27-23(5)37(18-24-9-6-10-25(17-24)33(38)39)32-28(27)11-7-12-29(32)30-21(3)35-36-22(30)4/h6-7,9-12,15-17H,8,13-14,18H2,1-5H3,(H,35,36)(H,38,39)
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10n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487554
PNG
(US10954193, Example 99)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(o3)C(O)=O)c12
Show InChI InChI=1S/C31H32ClN3O4/c1-17-14-23(15-18(2)29(17)32)38-13-7-10-24-21(5)35(16-22-11-12-27(39-22)31(36)37)30-25(24)8-6-9-26(30)28-19(3)33-34-20(28)4/h6,8-9,11-12,14-15H,7,10,13,16H2,1-5H3,(H,33,34)(H,36,37)
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11n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487510
PNG
(US10954193, Example 44)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)cc2n1CCC(O)=O
Show InChI InChI=1S/C23H25Cl2NO3/c1-14-11-18(12-15(2)23(14)25)29-10-4-5-19-16(3)26(9-8-22(27)28)21-13-17(24)6-7-20(19)21/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,27,28)
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170n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487501
PNG
(US10954193, Example 20)
Show SMILES Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C23H26Cl2N2O4S/c1-15-11-19(12-16(2)23(15)25)31-10-4-5-17-14-27(9-8-22(28)26-32(3,29)30)21-13-18(24)6-7-20(17)21/h6-7,11-14H,4-5,8-10H2,1-3H3,(H,26,28)
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360n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM487555
PNG
(US10954193, Example 100)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(O)=O)c12
Show InChI InChI=1S/C33H34ClN3O3/c1-19-15-26(16-20(2)31(19)34)40-14-8-13-27-23(5)37(18-24-9-6-10-25(17-24)33(38)39)32-28(27)11-7-12-29(32)30-21(3)35-36-22(30)4/h6-7,9-12,15-17H,8,13-14,18H2,1-5H3,(H,35,36)(H,38,39)
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1.20E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM487554
PNG
(US10954193, Example 99)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(o3)C(O)=O)c12
Show InChI InChI=1S/C31H32ClN3O4/c1-17-14-23(15-18(2)29(17)32)38-13-7-10-24-21(5)35(16-22-11-12-27(39-22)31(36)37)30-25(24)8-6-9-26(30)28-19(3)33-34-20(28)4/h6,8-9,11-12,14-15H,7,10,13,16H2,1-5H3,(H,33,34)(H,36,37)
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2.90E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM487555
PNG
(US10954193, Example 100)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(O)=O)c12
Show InChI InChI=1S/C33H34ClN3O3/c1-19-15-26(16-20(2)31(19)34)40-14-8-13-27-23(5)37(18-24-9-6-10-25(17-24)33(38)39)32-28(27)11-7-12-29(32)30-21(3)35-36-22(30)4/h6-7,9-12,15-17H,8,13-14,18H2,1-5H3,(H,35,36)(H,38,39)
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4.70E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM487532
PNG
(US10954193, Example 76)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C29H34ClN3O3/c1-17-15-22(16-18(2)28(17)30)36-14-8-11-23-20(4)33(13-12-26(34)35)29-24(23)9-7-10-25(29)27-19(3)31-32(6)21(27)5/h7,9-10,15-16H,8,11-14H2,1-6H3,(H,34,35)
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7.10E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM487532
PNG
(US10954193, Example 76)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C29H34ClN3O3/c1-17-15-22(16-18(2)28(17)30)36-14-8-11-23-20(4)33(13-12-26(34)35)29-24(23)9-7-10-25(29)27-19(3)31-32(6)21(27)5/h7,9-10,15-16H,8,11-14H2,1-6H3,(H,34,35)
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7.90E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM487510
PNG
(US10954193, Example 44)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)cc2n1CCC(O)=O
Show InChI InChI=1S/C23H25Cl2NO3/c1-14-11-18(12-15(2)23(14)25)29-10-4-5-19-16(3)26(9-8-22(27)28)21-13-17(24)6-7-20(19)21/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,27,28)
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7.90E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM487554
PNG
(US10954193, Example 99)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(o3)C(O)=O)c12
Show InChI InChI=1S/C31H32ClN3O4/c1-17-14-23(15-18(2)29(17)32)38-13-7-10-24-21(5)35(16-22-11-12-27(39-22)31(36)37)30-25(24)8-6-9-26(30)28-19(3)33-34-20(28)4/h6,8-9,11-12,14-15H,7,10,13,16H2,1-5H3,(H,33,34)(H,36,37)
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9.30E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM487501
PNG
(US10954193, Example 20)
Show SMILES Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C23H26Cl2N2O4S/c1-15-11-19(12-16(2)23(15)25)31-10-4-5-17-14-27(9-8-22(28)26-32(3,29)30)21-13-18(24)6-7-20(17)21/h6-7,11-14H,4-5,8-10H2,1-3H3,(H,26,28)
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1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487541
PNG
(US10954193, Example 85)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(C)(=O)=O)c12
Show InChI InChI=1S/C30H37ClN4O4S/c1-18-16-23(17-19(2)29(18)31)39-15-9-12-24-21(4)35(14-13-27(36)33-40(7,37)38)30-25(24)10-8-11-26(30)28-20(3)32-34(6)22(28)5/h8,10-11,16-17H,9,12-15H2,1-7H3,(H,33,36)
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n/an/a<100n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487561
PNG
(US10954193, Example 111)
Show SMILES Cc1nn(Cc2ccccn2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(O)=O)c12
Show InChI InChI=1S/C39H39ClN4O3/c1-24-19-32(20-25(2)37(24)40)47-18-10-16-33-27(4)43(22-29-11-8-12-30(21-29)39(45)46)38-34(33)14-9-15-35(38)36-26(3)42-44(28(36)5)23-31-13-6-7-17-41-31/h6-9,11-15,17,19-21H,10,16,18,22-23H2,1-5H3,(H,45,46)
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n/an/a<100n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487548
PNG
(US10954193, Example 92)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c12
Show InChI InChI=1S/C35H38ClN5O6S/c1-21-18-27(19-22(2)34(21)36)47-17-9-14-29-24(4)40(35-30(29)12-8-13-31(35)33-23(3)37-39(6)25(33)5)16-15-32(42)38-48(45,46)28-11-7-10-26(20-28)41(43)44/h7-8,10-13,18-20H,9,14-17H2,1-6H3,(H,38,42)
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n/an/a<100n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487578
PNG
(US10954193, Example 134)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(cn3)C(O)=O)c12
Show InChI InChI=1S/C33H34Cl2N4O3/c1-18-14-25(15-19(2)31(18)35)42-13-7-8-26-21(4)39(17-24-10-9-23(16-36-24)33(40)41)32-27(26)11-12-28(34)30(32)29-20(3)37-38(6)22(29)5/h9-12,14-16H,7-8,13,17H2,1-6H3,(H,40,41)
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n/an/a<100n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487525
PNG
(US10954193, Example 46)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)cc2n1CCC(=O)NS(C)(=O)=O
Show InChI InChI=1S/C24H28Cl2N2O4S/c1-15-12-19(13-16(2)24(15)26)32-11-5-6-20-17(3)28(10-9-23(29)27-33(4,30)31)22-14-18(25)7-8-21(20)22/h7-8,12-14H,5-6,9-11H2,1-4H3,(H,27,29)
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n/an/a<100n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487534
PNG
(US10954193, Example 78)
Show SMILES CC(C)n1nc(C)c(c1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C31H38ClN3O3/c1-18(2)35-23(7)29(21(5)33-35)27-11-8-10-26-25(22(6)34(31(26)27)14-13-28(36)37)12-9-15-38-24-16-19(3)30(32)20(4)17-24/h8,10-11,16-18H,9,12-15H2,1-7H3,(H,36,37)
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n/an/a<100n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487537
PNG
(US10954193, Example 81)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3ccnn3C)c2n1CCC(=O)NS(C)(=O)=O
Show InChI InChI=1S/C28H33ClN4O4S/c1-18-16-21(17-19(2)27(18)29)37-15-7-10-22-20(3)33(14-12-26(34)31-38(5,35)36)28-23(22)8-6-9-24(28)25-11-13-30-32(25)4/h6,8-9,11,13,16-17H,7,10,12,14-15H2,1-5H3,(H,31,34)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487555
PNG
(US10954193, Example 100)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(O)=O)c12
Show InChI InChI=1S/C33H34ClN3O3/c1-19-15-26(16-20(2)31(19)34)40-14-8-13-27-23(5)37(18-24-9-6-10-25(17-24)33(38)39)32-28(27)11-7-12-29(32)30-21(3)35-36-22(30)4/h6-7,9-12,15-17H,8,13-14,18H2,1-5H3,(H,35,36)(H,38,39)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487565
PNG
(US10954193, Example 118)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(CCc3ccc(cc3)C(O)=O)c12)C(F)(F)F
Show InChI InChI=1S/C35H35ClF3N3O3/c1-20-18-26(19-21(2)31(20)36)45-17-7-10-28-27-8-6-9-29(30-22(3)40-41(5)23(30)4)32(27)42(33(28)35(37,38)39)16-15-24-11-13-25(14-12-24)34(43)44/h6,8-9,11-14,18-19H,7,10,15-17H2,1-5H3,(H,43,44)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487577
PNG
(US10954193, Example 133)
Show SMILES Cc1nn(Cc2cccnc2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C34H37ClN4O3/c1-21-17-27(18-22(2)33(21)35)42-16-8-12-28-24(4)38(15-13-31(40)41)34-29(28)10-6-11-30(34)32-23(3)37-39(25(32)5)20-26-9-7-14-36-19-26/h6-7,9-11,14,17-19H,8,12-13,15-16,20H2,1-5H3,(H,40,41)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487526
PNG
(US10954193, Example 70)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3ccnn3C)c2n1CCC(O)=O
Show InChI InChI=1S/C27H30ClN3O3/c1-17-15-20(16-18(2)26(17)28)34-14-6-9-21-19(3)31(13-11-25(32)33)27-22(21)7-5-8-23(27)24-10-12-29-30(24)4/h5,7-8,10,12,15-16H,6,9,11,13-14H2,1-4H3,(H,32,33)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487542
PNG
(US10954193, Example 86)
Show SMILES CCn1nc(C)c(c1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(C)(=O)=O)c12
Show InChI InChI=1S/C31H39ClN4O4S/c1-8-36-23(6)29(21(4)33-36)27-12-9-11-26-25(13-10-16-40-24-17-19(2)30(32)20(3)18-24)22(5)35(31(26)27)15-14-28(37)34-41(7,38)39/h9,11-12,17-18H,8,10,13-16H2,1-7H3,(H,34,37)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487545
PNG
(US10954193, Example 89)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccc4ccccc4c3)c12
Show InChI InChI=1S/C39H41ClN4O4S/c1-24-21-31(22-25(2)38(24)40)48-20-10-15-33-27(4)44(39-34(33)13-9-14-35(39)37-26(3)41-43(6)28(37)5)19-18-36(45)42-49(46,47)32-17-16-29-11-7-8-12-30(29)23-32/h7-9,11-14,16-17,21-23H,10,15,18-20H2,1-6H3,(H,42,45)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487546
PNG
(US10954193, Example 90)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C41H43ClN4O5S/c1-26-24-33(25-27(2)40(26)42)50-23-11-16-35-29(4)46(41-36(35)14-10-15-37(41)39-28(3)43-45(6)30(39)5)22-21-38(47)44-52(48,49)34-19-17-32(18-20-34)51-31-12-8-7-9-13-31/h7-10,12-15,17-20,24-25H,11,16,21-23H2,1-6H3,(H,44,47)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487547
PNG
(US10954193, Example 91)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccccc3[N+]([O-])=O)c12
Show InChI InChI=1S/C35H38ClN5O6S/c1-21-19-26(20-22(2)34(21)36)47-18-10-13-27-24(4)40(35-28(27)11-9-12-29(35)33-23(3)37-39(6)25(33)5)17-16-32(42)38-48(45,46)31-15-8-7-14-30(31)41(43)44/h7-9,11-12,14-15,19-20H,10,13,16-18H2,1-6H3,(H,38,42)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487553
PNG
(US10954193, Example 98)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(cc3)C(O)=O)c12
Show InChI InChI=1S/C33H34ClN3O3/c1-19-16-26(17-20(2)31(19)34)40-15-7-10-27-23(5)37(18-24-11-13-25(14-12-24)33(38)39)32-28(27)8-6-9-29(32)30-21(3)35-36-22(30)4/h6,8-9,11-14,16-17H,7,10,15,18H2,1-5H3,(H,35,36)(H,38,39)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487556
PNG
(US10954193, Example 102)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(O)=O)c12
Show InChI InChI=1S/C34H35Cl2N3O3/c1-19-15-26(16-20(2)32(19)36)42-14-8-11-27-22(4)39(18-24-9-7-10-25(17-24)34(40)41)33-28(27)12-13-29(35)31(33)30-21(3)37-38(6)23(30)5/h7,9-10,12-13,15-17H,8,11,14,18H2,1-6H3,(H,40,41)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487558
PNG
(US10954193, Example 104)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C29H33Cl2N3O3/c1-16-14-21(15-17(2)28(16)31)37-13-7-8-22-19(4)34(12-11-25(35)36)29-23(22)9-10-24(30)27(29)26-18(3)32-33(6)20(26)5/h9-10,14-15H,7-8,11-13H2,1-6H3,(H,35,36)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487563
PNG
(US10954193, Example 114)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CC(O)=O)c12
Show InChI InChI=1S/C28H31Cl2N3O3/c1-15-12-20(13-16(2)27(15)30)36-11-7-8-21-18(4)33(14-24(34)35)28-22(21)9-10-23(29)26(28)25-17(3)31-32(6)19(25)5/h9-10,12-13H,7-8,11,14H2,1-6H3,(H,34,35)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487569
PNG
(US10954193, Example 123)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(Cc3cccc(c3)C(O)=O)c12)C(F)(F)F
Show InChI InChI=1S/C34H33ClF3N3O3/c1-19-15-25(16-20(2)30(19)35)44-14-8-13-27-26-11-7-12-28(29-21(3)39-40(5)22(29)4)31(26)41(32(27)34(36,37)38)18-23-9-6-10-24(17-23)33(42)43/h6-7,9-12,15-17H,8,13-14,18H2,1-5H3,(H,42,43)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487575
PNG
(US10954193, Example 131)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(cc3)C(=O)NS(C)(=O)=O)c12
Show InChI InChI=1S/C35H39ClN4O4S/c1-21-18-28(19-22(2)33(21)36)44-17-9-12-29-24(4)40(20-26-13-15-27(16-14-26)35(41)38-45(7,42)43)34-30(29)10-8-11-31(34)32-23(3)37-39(6)25(32)5/h8,10-11,13-16,18-19H,9,12,17,20H2,1-7H3,(H,38,41)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487531
PNG
(US10954193, Example 75)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cccnc3C)c2n1CCC(O)=O
Show InChI InChI=1S/C29H31ClN2O3/c1-18-16-22(17-19(2)28(18)30)35-15-7-11-24-21(4)32(14-12-27(33)34)29-25(8-5-9-26(24)29)23-10-6-13-31-20(23)3/h5-6,8-10,13,16-17H,7,11-12,14-15H2,1-4H3,(H,33,34)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487566
PNG
(US10954193, Example 120)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(CC(O)=O)c12)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3N3O3/c1-15-12-19(13-16(2)25(15)29)38-11-7-10-21-20-8-6-9-22(24-17(3)33-34(5)18(24)4)26(20)35(14-23(36)37)27(21)28(30,31)32/h6,8-9,12-13H,7,10-11,14H2,1-5H3,(H,36,37)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487571
PNG
(US10954193, Example 125)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(=O)NS(C)(=O)=O)c12
Show InChI InChI=1S/C35H39ClN4O4S/c1-21-17-28(18-22(2)33(21)36)44-16-10-15-29-24(4)40(20-26-11-8-12-27(19-26)35(41)38-45(7,42)43)34-30(29)13-9-14-31(34)32-23(3)37-39(6)25(32)5/h8-9,11-14,17-19H,10,15-16,20H2,1-7H3,(H,38,41)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487572
PNG
(US10954193, Example 126)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(=O)NS(=O)(=O)c3ccccn3)c12
Show InChI InChI=1S/C39H40ClN5O4S/c1-24-20-31(21-25(2)37(24)40)49-19-11-16-32-27(4)45(38-33(32)14-10-15-34(38)36-26(3)42-44(6)28(36)5)23-29-12-9-13-30(22-29)39(46)43-50(47,48)35-17-7-8-18-41-35/h7-10,12-15,17-18,20-22H,11,16,19,23H2,1-6H3,(H,43,46)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487579
PNG
(US10954193, Example 135)
Show SMILES Cc1cc(OCCCc2c(n(CCC(O)=O)c3ccccc23)C(F)(F)F)cc(C)c1Cl
Show InChI InChI=1S/C23H23ClF3NO3/c1-14-12-16(13-15(2)21(14)24)31-11-5-7-18-17-6-3-4-8-19(17)28(10-9-20(29)30)22(18)23(25,26)27/h3-4,6,8,12-13H,5,7,9-11H2,1-2H3,(H,29,30)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487527
PNG
(US10954193, Example 71)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cnccc3C)c2n1CCC(O)=O
Show InChI InChI=1S/C29H31ClN2O3/c1-18-10-12-31-17-26(18)25-8-5-7-24-23(21(4)32(29(24)25)13-11-27(33)34)9-6-14-35-22-15-19(2)28(30)20(3)16-22/h5,7-8,10,12,15-17H,6,9,11,13-14H2,1-4H3,(H,33,34)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487529
PNG
(US10954193, Example 73)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cccn3C)c2n1CCC(O)=O
Show InChI InChI=1S/C28H31ClN2O3/c1-18-16-21(17-19(2)27(18)29)34-15-7-10-22-20(3)31(14-12-26(32)33)28-23(22)8-5-9-24(28)25-11-6-13-30(25)4/h5-6,8-9,11,13,16-17H,7,10,12,14-15H2,1-4H3,(H,32,33)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487530
PNG
(US10954193, Example 74)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C28H32ClN3O3/c1-16-14-21(15-17(2)27(16)29)35-13-7-10-22-20(5)32(12-11-25(33)34)28-23(22)8-6-9-24(28)26-18(3)30-31-19(26)4/h6,8-9,14-15H,7,10-13H2,1-5H3,(H,30,31)(H,33,34)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487532
PNG
(US10954193, Example 76)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C29H34ClN3O3/c1-17-15-22(16-18(2)28(17)30)36-14-8-11-23-20(4)33(13-12-26(34)35)29-24(23)9-7-10-25(29)27-19(3)31-32(6)21(27)5/h7,9-10,15-16H,8,11-14H2,1-6H3,(H,34,35)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487535
PNG
(US10954193, Example 79)
Show SMILES Cc1nn(CCN2CCOCC2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C34H43ClN4O4/c1-22-20-27(21-23(2)33(22)35)43-17-7-10-28-25(4)38(12-11-31(40)41)34-29(28)8-6-9-30(34)32-24(3)36-39(26(32)5)14-13-37-15-18-42-19-16-37/h6,8-9,20-21H,7,10-19H2,1-5H3,(H,40,41)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487536
PNG
(US10954193, Example 80)
Show SMILES Cc1nn(CCN2CCCC2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C34H43ClN4O3/c1-22-20-27(21-23(2)33(22)35)42-19-9-12-28-25(4)38(16-13-31(40)41)34-29(28)10-8-11-30(34)32-24(3)36-39(26(32)5)18-17-37-14-6-7-15-37/h8,10-11,20-21H,6-7,9,12-19H2,1-5H3,(H,40,41)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487539
PNG
(US10954193, Example 83)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3ccncc3C)c2n1CCC(=O)NS(C)(=O)=O
Show InChI InChI=1S/C30H34ClN3O4S/c1-19-16-23(17-20(2)29(19)31)38-15-7-10-25-22(4)34(14-12-28(35)33-39(5,36)37)30-26(8-6-9-27(25)30)24-11-13-32-18-21(24)3/h6,8-9,11,13,16-18H,7,10,12,14-15H2,1-5H3,(H,33,35)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487551
PNG
(US10954193, Example 95)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3cccnc3)c12
Show InChI InChI=1S/C34H38ClN5O4S/c1-21-18-26(19-22(2)33(21)35)44-17-9-13-28-24(4)40(16-14-31(41)38-45(42,43)27-10-8-15-36-20-27)34-29(28)11-7-12-30(34)32-23(3)37-39(6)25(32)5/h7-8,10-12,15,18-20H,9,13-14,16-17H2,1-6H3,(H,38,41)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487560
PNG
(US10954193, Example 106)
Show SMILES Cc1nn(CC2CCOC2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C33H40ClN3O4/c1-20-16-26(17-21(2)32(20)34)41-14-7-10-27-23(4)36(13-11-30(38)39)33-28(27)8-6-9-29(33)31-22(3)35-37(24(31)5)18-25-12-15-40-19-25/h6,8-9,16-17,25H,7,10-15,18-19H2,1-5H3,(H,38,39)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487567
PNG
(US10954193, Example 121)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(CC(=O)N3CCN(CC(O)=O)CC3)c12)C(F)(F)F
Show InChI InChI=1S/C34H39ClF3N5O4/c1-20-16-24(17-21(2)31(20)35)47-15-7-10-26-25-8-6-9-27(30-22(3)39-40(5)23(30)4)32(25)43(33(26)34(36,37)38)18-28(44)42-13-11-41(12-14-42)19-29(45)46/h6,8-9,16-17H,7,10-15,18-19H2,1-5H3,(H,45,46)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487573
PNG
(US10954193, Example 127)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(=O)NS(=O)(=O)c3ccccc3)c12
Show InChI InChI=1S/C40H41ClN4O4S/c1-25-21-32(22-26(2)38(25)41)49-20-12-19-34-28(4)45(39-35(34)17-11-18-36(39)37-27(3)42-44(6)29(37)5)24-30-13-10-14-31(23-30)40(46)43-50(47,48)33-15-8-7-9-16-33/h7-11,13-18,21-23H,12,19-20,24H2,1-6H3,(H,43,46)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487528
PNG
(US10954193, Example 72)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3ccncc3C)c2n1CCC(O)=O
Show InChI InChI=1S/C29H31ClN2O3/c1-18-15-22(16-19(2)28(18)30)35-14-6-9-24-21(4)32(13-11-27(33)34)29-25(7-5-8-26(24)29)23-10-12-31-17-20(23)3/h5,7-8,10,12,15-17H,6,9,11,13-14H2,1-4H3,(H,33,34)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487550
PNG
(US10954193, Example 94)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccccn3)c12
Show InChI InChI=1S/C34H38ClN5O4S/c1-21-19-26(20-22(2)33(21)35)44-18-10-13-27-24(4)40(17-15-30(41)38-45(42,43)31-14-7-8-16-36-31)34-28(27)11-9-12-29(34)32-23(3)37-39(6)25(32)5/h7-9,11-12,14,16,19-20H,10,13,15,17-18H2,1-6H3,(H,38,41)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487554
PNG
(US10954193, Example 99)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(o3)C(O)=O)c12
Show InChI InChI=1S/C31H32ClN3O4/c1-17-14-23(15-18(2)29(17)32)38-13-7-10-24-21(5)35(16-22-11-12-27(39-22)31(36)37)30-25(24)8-6-9-26(30)28-19(3)33-34-20(28)4/h6,8-9,11-12,14-15H,7,10,13,16H2,1-5H3,(H,33,34)(H,36,37)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487557
PNG
(US10954193, Example 103)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(CC(O)=O)cc3)c12
Show InChI InChI=1S/C35H37Cl2N3O3/c1-20-16-27(17-21(2)34(20)37)43-15-7-8-28-23(4)40(19-26-11-9-25(10-12-26)18-31(41)42)35-29(28)13-14-30(36)33(35)32-22(3)38-39(6)24(32)5/h9-14,16-17H,7-8,15,18-19H2,1-6H3,(H,41,42)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487562
PNG
(US10954193, Example 113)
Show SMILES Cc1nn(CCN2CCOCC2)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C34H42Cl2N4O4/c1-21-19-26(20-22(2)33(21)36)44-16-6-7-27-24(4)39(11-10-30(41)42)34-28(27)8-9-29(35)32(34)31-23(3)37-40(25(31)5)13-12-38-14-17-43-18-15-38/h8-9,19-20H,6-7,10-18H2,1-5H3,(H,41,42)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487574
PNG
(US10954193, Example 130)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(cc3)C(=O)NS(=O)(=O)c3ccccc3)c12
Show InChI InChI=1S/C40H41ClN4O4S/c1-25-22-32(23-26(2)38(25)41)49-21-11-16-34-28(4)45(39-35(34)14-10-15-36(39)37-27(3)42-44(6)29(37)5)24-30-17-19-31(20-18-30)40(46)43-50(47,48)33-12-8-7-9-13-33/h7-10,12-15,17-20,22-23H,11,16,21,24H2,1-6H3,(H,43,46)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487538
PNG
(US10954193, Example 82)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cnccc3C)c2n1CCC(=O)NS(C)(=O)=O
Show InChI InChI=1S/C30H34ClN3O4S/c1-19-11-13-32-18-27(19)26-9-6-8-25-24(10-7-15-38-23-16-20(2)29(31)21(3)17-23)22(4)34(30(25)26)14-12-28(35)33-39(5,36)37/h6,8-9,11,13,16-18H,7,10,12,14-15H2,1-5H3,(H,33,35)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487564
PNG
(US10954193, Example 117)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(Cc3ccc(CC(O)=O)cc3)c12)C(F)(F)F
Show InChI InChI=1S/C35H35ClF3N3O3/c1-20-16-26(17-21(2)32(20)36)45-15-7-10-28-27-8-6-9-29(31-22(3)40-41(5)23(31)4)33(27)42(34(28)35(37,38)39)19-25-13-11-24(12-14-25)18-30(43)44/h6,8-9,11-14,16-17H,7,10,15,18-19H2,1-5H3,(H,43,44)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487568
PNG
(US10954193, Example 122)
Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(Cc3cccc(c3)C(O)=O)c12)C(F)(F)F
Show InChI InChI=1S/C34H32Cl2F3N3O3/c1-18-14-24(15-19(2)30(18)36)45-13-7-10-26-25-11-12-27(35)29(28-20(3)40-41(5)21(28)4)31(25)42(32(26)34(37,38)39)17-22-8-6-9-23(16-22)33(43)44/h6,8-9,11-12,14-16H,7,10,13,17H2,1-5H3,(H,43,44)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487570
PNG
(US10954193, Example 124)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(n(Cc3ccc(cc3)C(O)=O)c12)C(F)(F)F
Show InChI InChI=1S/C34H33ClF3N3O3/c1-19-16-25(17-20(2)30(19)35)44-15-7-10-27-26-8-6-9-28(29-21(3)39-40(5)22(29)4)31(26)41(32(27)34(36,37)38)18-23-11-13-24(14-12-23)33(42)43/h6,8-9,11-14,16-17H,7,10,15,18H2,1-5H3,(H,42,43)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487576
PNG
(US10954193, Example 132)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccc(cc3)C(=O)NS(=O)(=O)c3ccccn3)c12
Show InChI InChI=1S/C39H40ClN5O4S/c1-24-21-31(22-25(2)37(24)40)49-20-10-13-32-27(4)45(38-33(32)11-9-12-34(38)36-26(3)42-44(6)28(36)5)23-29-15-17-30(18-16-29)39(46)43-50(47,48)35-14-7-8-19-41-35/h7-9,11-12,14-19,21-22H,10,13,20,23H2,1-6H3,(H,43,46)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487533
PNG
(US10954193, Example 77)
Show SMILES CCn1nc(C)c(c1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C30H36ClN3O3/c1-7-34-22(6)28(20(4)32-34)26-11-8-10-25-24(21(5)33(30(25)26)14-13-27(35)36)12-9-15-37-23-16-18(2)29(31)19(3)17-23/h8,10-11,16-17H,7,9,12-15H2,1-6H3,(H,35,36)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487540
PNG
(US10954193, Example 84)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cccn3C)c2n1CCC(=O)NS(C)(=O)=O
Show InChI InChI=1S/C29H34ClN3O4S/c1-19-17-22(18-20(2)28(19)30)37-16-8-11-23-21(3)33(15-13-27(34)31-38(5,35)36)29-24(23)9-6-10-25(29)26-12-7-14-32(26)4/h6-7,9-10,12,14,17-18H,8,11,13,15-16H2,1-5H3,(H,31,34)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487543
PNG
(US10954193, Example 87)
Show SMILES CCn1nc(C)c(c1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccccc3)c12
Show InChI InChI=1S/C36H41ClN4O4S/c1-7-41-27(6)34(25(4)38-41)32-16-11-15-31-30(17-12-20-45-28-21-23(2)35(37)24(3)22-28)26(5)40(36(31)32)19-18-33(42)39-46(43,44)29-13-9-8-10-14-29/h8-11,13-16,21-22H,7,12,17-20H2,1-6H3,(H,39,42)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487549
PNG
(US10954193, Example 93)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c12
Show InChI InChI=1S/C35H38ClN5O6S/c1-21-19-27(20-22(2)34(21)36)47-18-8-11-29-24(4)40(35-30(29)9-7-10-31(35)33-23(3)37-39(6)25(33)5)17-16-32(42)38-48(45,46)28-14-12-26(13-15-28)41(43)44/h7,9-10,12-15,19-20H,8,11,16-18H2,1-6H3,(H,38,42)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487552
PNG
(US10954193, Example 96)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)c3ccncc3)c12
Show InChI InChI=1S/C34H38ClN5O4S/c1-21-19-26(20-22(2)33(21)35)44-18-8-11-28-24(4)40(17-14-31(41)38-45(42,43)27-12-15-36-16-13-27)34-29(28)9-7-10-30(34)32-23(3)37-39(6)25(32)5/h7,9-10,12-13,15-16,19-20H,8,11,14,17-18H2,1-6H3,(H,38,41)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487559
PNG
(US10954193, Example 105)
Show SMILES Cc1nn(Cc2ccccn2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C34H37ClN4O3/c1-21-18-27(19-22(2)33(21)35)42-17-9-13-28-24(4)38(16-14-31(40)41)34-29(28)11-8-12-30(34)32-23(3)37-39(25(32)5)20-26-10-6-7-15-36-26/h6-8,10-12,15,18-19H,9,13-14,16-17,20H2,1-5H3,(H,40,41)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487544
PNG
(US10954193, Example 88)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(=O)NS(=O)(=O)Cc3ccccc3)c12
Show InChI InChI=1S/C36H41ClN4O4S/c1-23-20-29(21-24(2)35(23)37)45-19-11-16-30-26(4)41(18-17-33(42)39-46(43,44)22-28-12-8-7-9-13-28)36-31(30)14-10-15-32(36)34-25(3)38-40(6)27(34)5/h7-10,12-15,20-21H,11,16-19,22H2,1-6H3,(H,39,42)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487507
PNG
(US10954193, Example 37)
Show SMILES Cc1cc(OCCCc2cn(CCC(=O)NS(=O)(=O)c3ccccc3)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C28H28Cl2N2O4S/c1-19-15-23(16-20(2)28(19)30)36-14-6-7-21-18-32(26-17-22(29)10-11-25(21)26)13-12-27(33)31-37(34,35)24-8-4-3-5-9-24/h3-5,8-11,15-18H,6-7,12-14H2,1-2H3,(H,31,33)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487512
PNG
(US10954193, Example 57)
Show SMILES Cc1cc(OCCCc2cn(CCC(O)=O)c3c(C)c(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C23H25Cl2NO3/c1-14-11-18(12-15(2)22(14)25)29-10-4-5-17-13-26(9-8-21(27)28)23-16(3)20(24)7-6-19(17)23/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,27,28)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487518
PNG
(US10954193, Example 101)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)c(Br)c2n1CCC(O)=O
Show InChI InChI=1S/C23H24BrCl2NO3/c1-13-11-16(12-14(2)22(13)26)30-10-4-5-17-15(3)27(9-8-20(28)29)23-18(17)6-7-19(25)21(23)24/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,28,29)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487522
PNG
(US10954193, Example 116)
Show SMILES Cc1cc(OCCCc2c(n(Cc3ccc(cc3)C(O)=O)c3c(Br)cccc23)C(F)(F)F)cc(C)c1Cl
Show InChI InChI=1S/C28H24BrClF3NO3/c1-16-13-20(14-17(2)24(16)30)37-12-4-6-22-21-5-3-7-23(29)25(21)34(26(22)28(31,32)33)15-18-8-10-19(11-9-18)27(35)36/h3,5,7-11,13-14H,4,6,12,15H2,1-2H3,(H,35,36)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487520
PNG
(US10954193, Example 108)
Show SMILES Cc1nn(Cc2ccncc2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C34H37ClN4O3/c1-21-18-27(19-22(2)33(21)35)42-17-7-10-28-24(4)38(16-13-31(40)41)34-29(28)8-6-9-30(34)32-23(3)37-39(25(32)5)20-26-11-14-36-15-12-26/h6,8-9,11-12,14-15,18-19H,7,10,13,16-17,20H2,1-5H3,(H,40,41)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487523
PNG
(US10954193, Example 128)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(=O)NS(=O)(=O)c3ccncc3)c12
Show InChI InChI=1S/C39H40ClN5O4S/c1-24-20-31(21-25(2)37(24)40)49-19-9-14-33-27(4)45(38-34(33)12-8-13-35(38)36-26(3)42-44(6)28(36)5)23-29-10-7-11-30(22-29)39(46)43-50(47,48)32-15-17-41-18-16-32/h7-8,10-13,15-18,20-22H,9,14,19,23H2,1-6H3,(H,43,46)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487513
PNG
(US10954193, Example 64)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3ccnn3C)c2n1CC(O)=O
Show InChI InChI=1S/C26H28ClN3O3/c1-16-13-19(14-17(2)25(16)27)33-12-6-9-20-18(3)30(15-24(31)32)26-21(20)7-5-8-22(26)23-10-11-28-29(23)4/h5,7-8,10-11,13-14H,6,9,12,15H2,1-4H3,(H,31,32)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487524
PNG
(US10954193, Example 129)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(=O)NS(=O)(=O)c3cccnc3)c12
Show InChI InChI=1S/C39H40ClN5O4S/c1-24-19-31(20-25(2)37(24)40)49-18-10-16-33-27(4)45(38-34(33)14-8-15-35(38)36-26(3)42-44(6)28(36)5)23-29-11-7-12-30(21-29)39(46)43-50(47,48)32-13-9-17-41-22-32/h7-9,11-15,17,19-22H,10,16,18,23H2,1-6H3,(H,43,46)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487503
PNG
(US10954193, Example 30)
Show SMILES Cc1c(c(COc2ccccc2)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)cn(CCC(O)=O)c12
Show InChI InChI=1S/C34H36ClN3O4/c1-22-18-27(19-23(2)33(22)35)41-17-9-10-25-20-38(16-15-31(39)40)34-28(25)13-8-14-29(34)32-24(3)37(4)36-30(32)21-42-26-11-6-5-7-12-26/h5-8,11-14,18-20H,9-10,15-17,21H2,1-4H3,(H,39,40)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487505
PNG
(US10954193, Example 35)
Show SMILES Cc1cc(OCCCc2cn(CCC(O)=O)c3c(cccc23)-c2cc[nH]n2)cc(C)c1Cl
Show InChI InChI=1S/C25H26ClN3O3/c1-16-13-19(14-17(2)24(16)26)32-12-4-5-18-15-29(11-9-23(30)31)25-20(18)6-3-7-21(25)22-8-10-27-28-22/h3,6-8,10,13-15H,4-5,9,11-12H2,1-2H3,(H,27,28)(H,30,31)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487500
PNG
(US10954193, Example 13)
Show SMILES Cc1cc(OCCCc2cn(CCC(O)=O)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C22H23Cl2NO3/c1-14-10-18(11-15(2)22(14)24)28-9-3-4-16-13-25(8-7-21(26)27)20-12-17(23)5-6-19(16)20/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,26,27)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487509
PNG
(US10954193, Example 43)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)cc2n1CC(O)=O
Show InChI InChI=1S/C22H23Cl2NO3/c1-13-9-17(10-14(2)22(13)24)28-8-4-5-18-15(3)25(12-21(26)27)20-11-16(23)6-7-19(18)20/h6-7,9-11H,4-5,8,12H2,1-3H3,(H,26,27)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487510
PNG
(US10954193, Example 44)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)cc2n1CCC(O)=O
Show InChI InChI=1S/C23H25Cl2NO3/c1-14-11-18(12-15(2)23(14)25)29-10-4-5-19-16(3)26(9-8-22(27)28)21-13-17(24)6-7-20(19)21/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,27,28)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487511
PNG
(US10954193, Example 45)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)cc2n1CC(=O)NS(C)(=O)=O
Show InChI InChI=1S/C23H26Cl2N2O4S/c1-14-10-18(11-15(2)23(14)25)31-9-5-6-19-16(3)27(13-22(28)26-32(4,29)30)21-12-17(24)7-8-20(19)21/h7-8,10-12H,5-6,9,13H2,1-4H3,(H,26,28)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487514
PNG
(US10954193, Example 65)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cnccc3C)c2n1CC(O)=O
Show InChI InChI=1S/C28H29ClN2O3/c1-17-10-11-30-15-25(17)24-8-5-7-23-22(20(4)31(28(23)24)16-26(32)33)9-6-12-34-21-13-18(2)27(29)19(3)14-21/h5,7-8,10-11,13-15H,6,9,12,16H2,1-4H3,(H,32,33)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487519
PNG
(US10954193, Example 107)
Show SMILES Cc1nn(CCc2ccccn2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C35H39ClN4O3/c1-22-20-28(21-23(2)34(22)36)43-19-9-13-29-25(4)39(17-15-32(41)42)35-30(29)11-8-12-31(35)33-24(3)38-40(26(33)5)18-14-27-10-6-7-16-37-27/h6-8,10-12,16,20-21H,9,13-15,17-19H2,1-5H3,(H,41,42)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487502
PNG
(US10954193, Example 25)
Show SMILES Cc1cc(OCCCc2cn(CC(=O)NS(C)(=O)=O)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C22H24Cl2N2O4S/c1-14-9-18(10-15(2)22(14)24)30-8-4-5-16-12-26(13-21(27)25-31(3,28)29)20-11-17(23)6-7-19(16)20/h6-7,9-12H,4-5,8,13H2,1-3H3,(H,25,27)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487515
PNG
(US10954193, Example 66)
Show SMILES Cc1noc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CC(O)=O)c12
Show InChI InChI=1S/C27H29ClN2O4/c1-15-12-20(13-16(2)26(15)28)33-11-7-10-21-18(4)30(14-24(31)32)27-22(21)8-6-9-23(27)25-17(3)29-34-19(25)5/h6,8-9,12-13H,7,10-11,14H2,1-5H3,(H,31,32)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487501
PNG
(US10954193, Example 20)
Show SMILES Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C23H26Cl2N2O4S/c1-15-11-19(12-16(2)23(15)25)31-10-4-5-17-14-27(9-8-22(28)26-32(3,29)30)21-13-18(24)6-7-20(17)21/h6-7,11-14H,4-5,8-10H2,1-3H3,(H,26,28)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487504
PNG
(US10954193, Example 32)
Show SMILES Cc1ccccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)cn(CCC(O)=O)c12
Show InChI InChI=1S/C29H30ClNO3/c1-19-8-4-5-10-24(19)26-12-6-11-25-22(18-31(29(25)26)14-13-27(32)33)9-7-15-34-23-16-20(2)28(30)21(3)17-23/h4-6,8,10-12,16-18H,7,9,13-15H2,1-3H3,(H,32,33)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487506
PNG
(US10954193, Example 36)
Show SMILES Cc1cc(OCCCc2cn(CCC(O)=O)c3c(cccc23)-c2cn[nH]c2)cc(C)c1Cl
Show InChI InChI=1S/C25H26ClN3O3/c1-16-11-20(12-17(2)24(16)26)32-10-4-5-18-15-29(9-8-23(30)31)25-21(18)6-3-7-22(25)19-13-27-28-14-19/h3,6-7,11-15H,4-5,8-10H2,1-2H3,(H,27,28)(H,30,31)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487508
PNG
(US10954193, Example 41)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(=O)CCn2cc(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C35H34Cl2N2O6S/c1-23-19-30(20-24(2)35(23)37)44-18-4-5-25-22-39(33-21-26(36)6-15-32(25)33)17-16-34(40)38-46(41,42)31-13-11-29(12-14-31)45-28-9-7-27(43-3)8-10-28/h6-15,19-22H,4-5,16-18H2,1-3H3,(H,38,40)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487516
PNG
(US10954193, Example 67)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3ccncc3C)c2n1CC(O)=O
Show InChI InChI=1S/C28H29ClN2O3/c1-17-13-21(14-18(2)27(17)29)34-12-6-9-23-20(4)31(16-26(32)33)28-24(7-5-8-25(23)28)22-10-11-30-15-19(22)3/h5,7-8,10-11,13-15H,6,9,12,16H2,1-4H3,(H,32,33)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487517
PNG
(US10954193, Example 68)
Show SMILES Cc1c(CCCOc2cc(C)c(Cl)c(C)c2)c2cccc(-c3cccn3C)c2n1CC(O)=O
Show InChI InChI=1S/C27H29ClN2O3/c1-17-14-20(15-18(2)26(17)28)33-13-7-10-21-19(3)30(16-25(31)32)27-22(21)8-5-9-23(27)24-11-6-12-29(24)4/h5-6,8-9,11-12,14-15H,7,10,13,16H2,1-4H3,(H,31,32)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487521
PNG
(US10954193, Example 115)
Show SMILES Cc1cc(OCCCc2c(n(Cc3cccc(c3)C(O)=O)c3c(Br)cccc23)C(F)(F)F)cc(C)c1Cl
Show InChI InChI=1S/C28H24BrClF3NO3/c1-16-12-20(13-17(2)24(16)30)37-11-5-9-22-21-8-4-10-23(29)25(21)34(26(22)28(31,32)33)15-18-6-3-7-19(14-18)27(35)36/h3-4,6-8,10,12-14H,5,9,11,15H2,1-2H3,(H,35,36)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487492
PNG
(US10954193, Example 34)
Show SMILES Cc1cc(OCCCc2cn(CCC(O)=O)c3c(cccc23)-c2ccncc2)cc(C)c1Cl
Show InChI InChI=1S/C27H27ClN2O3/c1-18-15-22(16-19(2)26(18)28)33-14-4-5-21-17-30(13-10-25(31)32)27-23(6-3-7-24(21)27)20-8-11-29-12-9-20/h3,6-9,11-12,15-17H,4-5,10,13-14H2,1-2H3,(H,31,32)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487499
PNG
(US10954193, Example 109)
Show SMILES CN(C)CCn1nc(C)c(c1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C32H41ClN4O3/c1-20-18-25(19-21(2)31(20)33)40-17-9-12-26-23(4)36(14-13-29(38)39)32-27(26)10-8-11-28(32)30-22(3)34-37(24(30)5)16-15-35(6)7/h8,10-11,18-19H,9,12-17H2,1-7H3,(H,38,39)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487488
PNG
(US10954193, Example 7)
Show SMILES Cc1cc(OCCCc2cn(CC(O)=O)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C21H21Cl2NO3/c1-13-8-17(9-14(2)21(13)23)27-7-3-4-15-11-24(12-20(25)26)19-10-16(22)5-6-18(15)19/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,25,26)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487491
PNG
(US10954193, Example 31)
Show SMILES Cc1cc(OCCCc2cn(CCC(O)=O)c3c(cccc23)-c2ccccc2)cc(C)c1Cl
Show InChI InChI=1S/C28H28ClNO3/c1-19-16-23(17-20(2)27(19)29)33-15-7-10-22-18-30(14-13-26(31)32)28-24(11-6-12-25(22)28)21-8-4-3-5-9-21/h3-6,8-9,11-12,16-18H,7,10,13-15H2,1-2H3,(H,31,32)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487489
PNG
(US10954193, Example 14)
Show SMILES OC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc12
Show InChI InChI=1S/C24H22ClNO3/c25-19-10-11-20-18(16-26(22(20)15-19)13-12-24(27)28)7-4-14-29-23-9-3-6-17-5-1-2-8-21(17)23/h1-3,5-6,8-11,15-16H,4,7,12-14H2,(H,27,28)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487493
PNG
(US10954193, Example 38)
Show SMILES Cc1cc(OCCCc2cn(CCC(=O)NS(=O)(=O)Cc3ccccc3)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C29H30Cl2N2O4S/c1-20-15-25(16-21(2)29(20)31)37-14-6-9-23-18-33(27-17-24(30)10-11-26(23)27)13-12-28(34)32-38(35,36)19-22-7-4-3-5-8-22/h3-5,7-8,10-11,15-18H,6,9,12-14,19H2,1-2H3,(H,32,34)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487497
PNG
(US10954193, Example 58)
Show SMILES Cc1cc(OCCCc2cn(CCC(O)=O)c3c(C)c(Br)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C23H25BrClNO3/c1-14-11-18(12-15(2)22(14)25)29-10-4-5-17-13-26(9-8-21(27)28)23-16(3)20(24)7-6-19(17)23/h6-7,11-13H,4-5,8-10H2,1-3H3,(H,27,28)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487498
PNG
(US10954193, Example 69)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CC(O)=O)c12
Show InChI InChI=1S/C27H30ClN3O3/c1-15-12-20(13-16(2)26(15)28)34-11-7-10-21-19(5)31(14-24(32)33)27-22(21)8-6-9-23(27)25-17(3)29-30-18(25)4/h6,8-9,12-13H,7,10-11,14H2,1-5H3,(H,29,30)(H,32,33)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487490
PNG
(US10954193, Example 29)
Show SMILES Cc1cc(OCCCc2cn(CCC(O)=O)c3c(Br)cccc23)cc(C)c1Cl
Show InChI InChI=1S/C22H23BrClNO3/c1-14-11-17(12-15(2)21(14)24)28-10-4-5-16-13-25(9-8-20(26)27)22-18(16)6-3-7-19(22)23/h3,6-7,11-13H,4-5,8-10H2,1-2H3,(H,26,27)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487496
PNG
(US10954193, Example 42)
Show SMILES Cc1cc(OCCCc2cn(CCC(=O)NS(=O)(=O)c3ccc(OCc4ccccc4)cc3)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C35H34Cl2N2O5S/c1-24-19-30(20-25(2)35(24)37)43-18-6-9-27-22-39(33-21-28(36)10-15-32(27)33)17-16-34(40)38-45(41,42)31-13-11-29(12-14-31)44-23-26-7-4-3-5-8-26/h3-5,7-8,10-15,19-22H,6,9,16-18,23H2,1-2H3,(H,38,40)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487494
PNG
(US10954193, Example 39)
Show SMILES Cc1cc(OCCCc2cn(CCC(=O)NS(=O)(=O)C3CC3)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C25H28Cl2N2O4S/c1-16-12-20(13-17(2)25(16)27)33-11-3-4-18-15-29(23-14-19(26)5-8-22(18)23)10-9-24(30)28-34(31,32)21-6-7-21/h5,8,12-15,21H,3-4,6-7,9-11H2,1-2H3,(H,28,30)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487495
PNG
(US10954193, Example 40)
Show SMILES Cc1cc(OCCCc2cn(CCC(=O)NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c3cc(Cl)ccc23)cc(C)c1Cl
Show InChI InChI=1S/C34H32Cl2N2O5S/c1-23-19-29(20-24(2)34(23)36)42-18-6-7-25-22-38(32-21-26(35)10-15-31(25)32)17-16-33(39)37-44(40,41)30-13-11-28(12-14-30)43-27-8-4-3-5-9-27/h3-5,8-15,19-22H,6-7,16-18H2,1-2H3,(H,37,39)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487472
PNG
(US10954193, Example 5)
Show SMILES Cc1cc(OCCCc2cn(CC(O)=O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C21H22ClNO3/c1-14-10-17(11-15(2)21(14)22)26-9-5-6-16-12-23(13-20(24)25)19-8-4-3-7-18(16)19/h3-4,7-8,10-12H,5-6,9,13H2,1-2H3,(H,24,25)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487483
PNG
(US10954193, Example 55)
Show SMILES CC(CC(O)=O)n1cc(CCCOc2cc(C)c(Cl)c(C)c2)c2ccccc12
Show InChI InChI=1S/C23H26ClNO3/c1-15-11-19(12-16(2)23(15)24)28-10-6-7-18-14-25(17(3)13-22(26)27)21-9-5-4-8-20(18)21/h4-5,8-9,11-12,14,17H,6-7,10,13H2,1-3H3,(H,26,27)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487481
PNG
(US10954193, Example 52)
Show SMILES CCC(C(O)=O)n1cc(CCCOc2cc(C)c(Cl)c(C)c2)c2ccccc12
Show InChI InChI=1S/C23H26ClNO3/c1-4-20(23(26)27)25-14-17(19-9-5-6-10-21(19)25)8-7-11-28-18-12-15(2)22(24)16(3)13-18/h5-6,9-10,12-14,20H,4,7-8,11H2,1-3H3,(H,26,27)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487478
PNG
(US10954193, Example 48)
Show SMILES Cc1cc(OCCCc2c(C#N)n(CCC(O)=O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C23H23ClN2O3/c1-15-12-17(13-16(2)23(15)24)29-11-5-7-19-18-6-3-4-8-20(18)26(21(19)14-25)10-9-22(27)28/h3-4,6,8,12-13H,5,7,9-11H2,1-2H3,(H,27,28)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487473
PNG
(US10954193, Example 9)
Show SMILES Cc1cc(OCCCc2cn(CC(O)=O)c3cccc(Cl)c23)cc(C)c1Cl
Show InChI InChI=1S/C21H21Cl2NO3/c1-13-9-16(10-14(2)21(13)23)27-8-4-5-15-11-24(12-19(25)26)18-7-3-6-17(22)20(15)18/h3,6-7,9-11H,4-5,8,12H2,1-2H3,(H,25,26)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487487
PNG
(US10954193, Example 112)
Show SMILES Cc1nn(Cc2cccnc2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3cccc(c3)C(O)=O)c12
Show InChI InChI=1S/C39H39ClN4O3/c1-24-18-32(19-25(2)37(24)40)47-17-9-15-33-27(4)43(22-29-10-6-12-31(20-29)39(45)46)38-34(33)13-7-14-35(38)36-26(3)42-44(28(36)5)23-30-11-8-16-41-21-30/h6-8,10-14,16,18-21H,9,15,17,22-23H2,1-5H3,(H,45,46)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487480
PNG
(US10954193, Example 51)
Show SMILES CC(C(O)=O)n1cc(CCCOc2cc(C)c(Cl)c(C)c2)c2ccccc12
Show InChI InChI=1S/C22H24ClNO3/c1-14-11-18(12-15(2)21(14)23)27-10-6-7-17-13-24(16(3)22(25)26)20-9-5-4-8-19(17)20/h4-5,8-9,11-13,16H,6-7,10H2,1-3H3,(H,25,26)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487484
PNG
(US10954193, Example 56)
Show SMILES Cc1cc(OCCCc2cn(C(CC(O)=O)c3ccccc3)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C28H28ClNO3/c1-19-15-23(16-20(2)28(19)29)33-14-8-11-22-18-30(25-13-7-6-12-24(22)25)26(17-27(31)32)21-9-4-3-5-10-21/h3-7,9-10,12-13,15-16,18,26H,8,11,14,17H2,1-2H3,(H,31,32)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487479
PNG
(US10954193, Example 49)
Show SMILES Cc1cc(OCCCc2c(C#N)n(CCC(=O)NS(C)(=O)=O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C24H26ClN3O4S/c1-16-13-18(14-17(2)24(16)25)32-12-6-8-20-19-7-4-5-9-21(19)28(22(20)15-26)11-10-23(29)27-33(3,30)31/h4-5,7,9,13-14H,6,8,10-12H2,1-3H3,(H,27,29)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487475
PNG
(US10954193, Example 15)
Show SMILES Cc1cc(OCCCc2cn(CCC(O)=O)c3cccc(Cl)c23)cc(C)c1Cl
Show InChI InChI=1S/C22H23Cl2NO3/c1-14-11-17(12-15(2)22(14)24)28-10-4-5-16-13-25(9-8-20(26)27)19-7-3-6-18(23)21(16)19/h3,6-7,11-13H,4-5,8-10H2,1-2H3,(H,26,27)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487474
PNG
(US10954193, Example 12)
Show SMILES Cc1cc(OCCCc2cn(CCC(O)=O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C22H24ClNO3/c1-15-12-18(13-16(2)22(15)23)27-11-5-6-17-14-24(10-9-21(25)26)20-8-4-3-7-19(17)20/h3-4,7-8,12-14H,5-6,9-11H2,1-2H3,(H,25,26)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487476
PNG
(US10954193, Example 21)
Show SMILES CS(=O)(=O)NC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc12
Show InChI InChI=1S/C25H25ClN2O4S/c1-33(30,31)27-25(29)13-14-28-17-19(21-12-11-20(26)16-23(21)28)8-5-15-32-24-10-4-7-18-6-2-3-9-22(18)24/h2-4,6-7,9-12,16-17H,5,8,13-15H2,1H3,(H,27,29)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487477
PNG
(US10954193, Example 33)
Show SMILES Cc1cc(OCCCc2cn(CCC(O)=O)c3c(cccc23)-c2cccnc2)cc(C)c1Cl
Show InChI InChI=1S/C27H27ClN2O3/c1-18-14-22(15-19(2)26(18)28)33-13-5-7-21-17-30(12-10-25(31)32)27-23(8-3-9-24(21)27)20-6-4-11-29-16-20/h3-4,6,8-9,11,14-17H,5,7,10,12-13H2,1-2H3,(H,31,32)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487485
PNG
(US10954193, Example 59)
Show SMILES CC(C(=O)NS(C)(=O)=O)n1cc(CCCOc2cc(C)c(Cl)c(C)c2)c2ccccc12
Show InChI InChI=1S/C23H27ClN2O4S/c1-15-12-19(13-16(2)22(15)24)30-11-7-8-18-14-26(21-10-6-5-9-20(18)21)17(3)23(27)25-31(4,28)29/h5-6,9-10,12-14,17H,7-8,11H2,1-4H3,(H,25,27)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487482
PNG
(US10954193, Example 53)
Show SMILES Cc1cc(OCCCc2cn(C(C(O)=O)c3ccccc3)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C27H26ClNO3/c1-18-15-22(16-19(2)25(18)28)32-14-8-11-21-17-29(24-13-7-6-12-23(21)24)26(27(30)31)20-9-4-3-5-10-20/h3-7,9-10,12-13,15-17,26H,8,11,14H2,1-2H3,(H,30,31)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487486
PNG
(US10954193, Example 60)
Show SMILES CCC(C(=O)NS(C)(=O)=O)n1cc(CCCOc2cc(C)c(Cl)c(C)c2)c2ccccc12
Show InChI InChI=1S/C24H29ClN2O4S/c1-5-21(24(28)26-32(4,29)30)27-15-18(20-10-6-7-11-22(20)27)9-8-12-31-19-13-16(2)23(25)17(3)14-19/h6-7,10-11,13-15,21H,5,8-9,12H2,1-4H3,(H,26,28)
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US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487172
PNG
(US10954193, Example 2)
Show SMILES OC(=O)Cc1cn(CCCOc2ccc3ccccc3c2)c2ccccc12
Show InChI InChI=1S/C23H21NO3/c25-23(26)15-19-16-24(22-9-4-3-8-21(19)22)12-5-13-27-20-11-10-17-6-1-2-7-18(17)14-20/h1-4,6-11,14,16H,5,12-13,15H2,(H,25,26)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487457
PNG
(US10954193, Example 19)
Show SMILES CS(=O)(=O)NC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H26N2O4S/c1-32(29,30)26-25(28)15-16-27-18-20(21-11-4-5-13-23(21)27)10-7-17-31-24-14-6-9-19-8-2-3-12-22(19)24/h2-6,8-9,11-14,18H,7,10,15-17H2,1H3,(H,26,28)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487458
PNG
(US10954193, Example 22)
Show SMILES Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3cccc(Cl)c23)cc(C)c1Cl
Show InChI InChI=1S/C23H26Cl2N2O4S/c1-15-12-18(13-16(2)23(15)25)31-11-5-6-17-14-27(10-9-21(28)26-32(3,29)30)20-8-4-7-19(24)22(17)20/h4,7-8,12-14H,5-6,9-11H2,1-3H3,(H,26,28)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487465
PNG
(US10954193, Example 50)
Show SMILES Cc1cc(OCCCc2c(C#N)n(CC(=O)NS(C)(=O)=O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C23H24ClN3O4S/c1-15-11-17(12-16(2)23(15)24)31-10-6-8-19-18-7-4-5-9-20(18)27(21(19)13-25)14-22(28)26-32(3,29)30/h4-5,7,9,11-12H,6,8,10,14H2,1-3H3,(H,26,28)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487178
PNG
(US10954193, Example 1)
Show SMILES OC(=O)Cc1cn(CCCOc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO3/c25-23(26)15-18-16-24(21-11-4-3-9-19(18)21)13-6-14-27-22-12-5-8-17-7-1-2-10-20(17)22/h1-5,7-12,16H,6,13-15H2,(H,25,26)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487456
PNG
(US10954193, Example 18)
Show SMILES Cc1cc(OCCCc2cn(CCC(=O)NS(C)(=O)=O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C23H27ClN2O4S/c1-16-13-19(14-17(2)23(16)24)30-12-6-7-18-15-26(21-9-5-4-8-20(18)21)11-10-22(27)25-31(3,28)29/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3,(H,25,27)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487190
PNG
(US10954193, Example 6)
Show SMILES OC(=O)Cn1cc(CCCOc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO3/c25-23(26)16-24-15-18(19-10-3-4-12-21(19)24)9-6-14-27-22-13-5-8-17-7-1-2-11-20(17)22/h1-5,7-8,10-13,15H,6,9,14,16H2,(H,25,26)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487466
PNG
(US10954193, Example 54)
Show SMILES Cc1cc(OCCCc2cn(C=CC(O)=O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C22H22ClNO3/c1-15-12-18(13-16(2)22(15)23)27-11-5-6-17-14-24(10-9-21(25)26)20-8-4-3-7-19(17)20/h3-4,7-10,12-14H,5-6,11H2,1-2H3,(H,25,26)/b10-9+
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487467
PNG
(US10954193, Example 61)
Show SMILES Cc1cc(OCCCc2cn(CCS(O)(=O)=O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C21H24ClNO4S/c1-15-12-18(13-16(2)21(15)22)27-10-5-6-17-14-23(9-11-28(24,25)26)20-8-4-3-7-19(17)20/h3-4,7-8,12-14H,5-6,9-11H2,1-2H3,(H,24,25,26)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487469
PNG
(US10954193, Example 97)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(Cc3ccccc3OC=O)c12
Show InChI InChI=1S/C33H34ClN3O3/c1-20-16-26(17-21(2)32(20)34)39-15-9-13-27-24(5)37(18-25-10-6-7-14-30(25)40-19-38)33-28(27)11-8-12-29(33)31-22(3)35-36-23(31)4/h6-8,10-12,14,16-17,19H,9,13,15,18H2,1-5H3,(H,35,36)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487462
PNG
(US10954193, Example 27)
Show SMILES Cc1cc(OCCCc2cn(CC(=O)NS(C)(=O)=O)c3cccc(Cl)c23)cc(C)c1Cl
Show InChI InChI=1S/C22H24Cl2N2O4S/c1-14-10-17(11-15(2)22(14)24)30-9-5-6-16-12-26(13-20(27)25-31(3,28)29)19-8-4-7-18(23)21(16)19/h4,7-8,10-12H,5-6,9,13H2,1-3H3,(H,25,27)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487180
PNG
(US10954193, Example 3)
Show SMILES Cc1cc(OCCCn2cc(CC(O)=O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C21H22ClNO3/c1-14-10-17(11-15(2)21(14)22)26-9-5-8-23-13-16(12-20(24)25)18-6-3-4-7-19(18)23/h3-4,6-7,10-11,13H,5,8-9,12H2,1-2H3,(H,24,25)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487463
PNG
(US10954193, Example 28)
Show SMILES CS(=O)(=O)NC(=O)Cn1cc(CCCOc2cccc3ccccc23)c2c(Cl)cccc12
Show InChI InChI=1S/C24H23ClN2O4S/c1-32(29,30)26-23(28)16-27-15-18(24-20(25)11-5-12-21(24)27)9-6-14-31-22-13-4-8-17-7-2-3-10-19(17)22/h2-5,7-8,10-13,15H,6,9,14,16H2,1H3,(H,26,28)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487468
PNG
(US10954193, Example 62)
Show SMILES Cc1cc(OCCn2cc(CC(O)=O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C20H20ClNO3/c1-13-9-16(10-14(2)20(13)21)25-8-7-22-12-15(11-19(23)24)17-5-3-4-6-18(17)22/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,24)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487460
PNG
(US10954193, Example 24)
Show SMILES CS(=O)(=O)NC(=O)Cn1cc(CCCOc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H24N2O4S/c1-31(28,29)25-24(27)17-26-16-19(20-11-4-5-13-22(20)26)10-7-15-30-23-14-6-9-18-8-2-3-12-21(18)23/h2-6,8-9,11-14,16H,7,10,15,17H2,1H3,(H,25,27)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487199
PNG
(US10954193, Example 8)
Show SMILES OC(=O)Cn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc12
Show InChI InChI=1S/C23H20ClNO3/c24-18-10-11-19-17(14-25(15-23(26)27)21(19)13-18)7-4-12-28-22-9-3-6-16-5-1-2-8-20(16)22/h1-3,5-6,8-11,13-14H,4,7,12,15H2,(H,26,27)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487183
PNG
(US10954193, Example 4)
Show SMILES Cc1cc(OCCCn2cc(CC(=O)NS(C)(=O)=O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C22H25ClN2O4S/c1-15-11-18(12-16(2)22(15)23)29-10-6-9-25-14-17(13-21(26)24-30(3,27)28)19-7-4-5-8-20(19)25/h4-5,7-8,11-12,14H,6,9-10,13H2,1-3H3,(H,24,26)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487470
PNG
(US10954193, Example 110)
Show SMILES Cc1nn(Cc2ncccn2)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C)n(CCC(O)=O)c12
Show InChI InChI=1S/C33H36ClN5O3/c1-20-17-25(18-21(2)32(20)34)42-16-7-11-26-23(4)38(15-12-30(40)41)33-27(26)9-6-10-28(33)31-22(3)37-39(24(31)5)19-29-35-13-8-14-36-29/h6,8-10,13-14,17-18H,7,11-12,15-16,19H2,1-5H3,(H,40,41)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487461
PNG
(US10954193, Example 26)
Show SMILES CS(=O)(=O)NC(=O)Cn1cc(CCCOc2cccc3ccccc23)c2ccc(Cl)cc12
Show InChI InChI=1S/C24H23ClN2O4S/c1-32(29,30)26-24(28)16-27-15-18(20-12-11-19(25)14-22(20)27)8-5-13-31-23-10-4-7-17-6-2-3-9-21(17)23/h2-4,6-7,9-12,14-15H,5,8,13,16H2,1H3,(H,26,28)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487459
PNG
(US10954193, Example 23)
Show SMILES CS(=O)(=O)NC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2c(Cl)cccc12
Show InChI InChI=1S/C25H25ClN2O4S/c1-33(30,31)27-24(29)14-15-28-17-19(25-21(26)11-5-12-22(25)28)9-6-16-32-23-13-4-8-18-7-2-3-10-20(18)23/h2-5,7-8,10-13,17H,6,9,14-16H2,1H3,(H,27,29)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487453
PNG
(US10954193, Example 11)
Show SMILES OC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H23NO3/c26-24(27)14-15-25-17-19(20-10-3-4-12-22(20)25)9-6-16-28-23-13-5-8-18-7-1-2-11-21(18)23/h1-5,7-8,10-13,17H,6,9,14-16H2,(H,26,27)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487455
PNG
(US10954193, Example 17)
Show SMILES CC(COc1cc(C)c(Cl)c(C)c1)Cc1cn(CCC(O)=O)c2ccccc12
Show InChI InChI=1S/C23H26ClNO3/c1-15(14-28-19-11-16(2)23(24)17(3)12-19)10-18-13-25(9-8-22(26)27)21-7-5-4-6-20(18)21/h4-7,11-13,15H,8-10,14H2,1-3H3,(H,26,27)
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Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487208
PNG
(US10954193, Example 10)
Show SMILES OC(=O)Cn1cc(CCCOc2cccc3ccccc23)c2c(Cl)cccc12
Show InChI InChI=1S/C23H20ClNO3/c24-19-10-4-11-20-23(19)17(14-25(20)15-22(26)27)8-5-13-28-21-12-3-7-16-6-1-2-9-18(16)21/h1-4,6-7,9-12,14H,5,8,13,15H2,(H,26,27)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487471
PNG
(US10954193, Example 119)
Show SMILES Cc1cc(OCCCc2c(n(Cc3ccc(cn3)C(O)=O)c3c(Br)cccc23)C(F)(F)F)cc(C)c1Cl
Show InChI InChI=1S/C27H23BrClF3N2O3/c1-15-11-19(12-16(2)23(15)29)37-10-4-6-21-20-5-3-7-22(28)24(20)34(25(21)27(30,31)32)14-18-9-8-17(13-33-18)26(35)36/h3,5,7-9,11-13H,4,6,10,14H2,1-2H3,(H,35,36)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487464
PNG
(US10954193, Example 47)
Show SMILES Cc1cc(OCCCc2c(C#N)n(CC(O)=O)c3ccccc23)cc(C)c1Cl
Show InChI InChI=1S/C22H21ClN2O3/c1-14-10-16(11-15(2)22(14)23)28-9-5-7-18-17-6-3-4-8-19(17)25(13-21(26)27)20(18)12-24/h3-4,6,8,10-11H,5,7,9,13H2,1-2H3,(H,26,27)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM487454
PNG
(US10954193, Example 16)
Show SMILES OC(=O)CCn1cc(CCCOc2cccc3ccccc23)c2c(Cl)cccc12
Show InChI InChI=1S/C24H22ClNO3/c25-20-10-4-11-21-24(20)18(16-26(21)14-13-23(27)28)8-5-15-29-22-12-3-7-17-6-1-2-9-19(17)22/h1-4,6-7,9-12,16H,5,8,13-15H2,(H,27,28)
PDB
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UniProtKB/SwissProt

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n/an/a 5.50E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...


US Patent US10954193 (2021)

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