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Patent code US9403827

Compile Data Set for Download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
p53-MDM2


(Homo sapiens (Human))
BDBM238901
PNG
(US9403827, 3)
Show SMILES COc1ccccc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C29H28Cl2N4O2/c1-16(2)34-26-25(21-13-12-19(30)14-18(21)4)35(23-15-20(31)11-10-17(23)3)29(36)33-27(26)32-28(34)22-8-6-7-9-24(22)37-5/h6-16,25H,1-5H3,(H,33,36)
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n/an/a 1.80n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay 1: This assay was used to evaluate compounds displaying inhibition of p53-MDM2 interaction and p53-MDM4 interaction at IC50s of 0.005 to 50 &mu...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238899
PNG
(US9403827, 1)
Show SMILES COc1ccccc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cccc(Cl)c1F
Show InChI InChI=1S/C27H23Cl2FN4O2/c1-15(2)33-24-23(16-11-13-17(28)14-12-16)34(20-9-6-8-19(29)22(20)30)27(35)32-25(24)31-26(33)18-7-4-5-10-21(18)36-3/h4-15,23H,1-3H3,(H,32,35)
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NOVARTIS AG

US Patent


Assay Description
Assay 1: This assay was used to evaluate compounds displaying inhibition of p53-MDM2 interaction and p53-MDM4 interaction at IC50s of 0.005 to 50 &mu...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238900
PNG
(US9403827, 2)
Show SMILES COc1ccccc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
Show InChI InChI=1S/C28H25Cl2FN4O2/c1-15(2)34-25-24(18-13-12-17(29)14-16(18)3)35(21-10-7-9-20(30)23(21)31)28(36)33-26(25)32-27(34)19-8-5-6-11-22(19)37-4/h5-15,24H,1-4H3,(H,33,36)
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NOVARTIS AG

US Patent


Assay Description
Assay 1: This assay was used to evaluate compounds displaying inhibition of p53-MDM2 interaction and p53-MDM4 interaction at IC50s of 0.005 to 50 &mu...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238902
PNG
(US9403827, 4)
Show SMILES COc1ccncc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C28H27Cl2N5O2/c1-15(2)34-25-24(20-9-8-18(29)12-17(20)4)35(22-13-19(30)7-6-16(22)3)28(36)33-26(25)32-27(34)21-14-31-11-10-23(21)37-5/h6-15,24H,1-5H3,(H,33,36)
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NOVARTIS AG

US Patent


Assay Description
Assay 1: This assay was used to evaluate compounds displaying inhibition of p53-MDM2 interaction and p53-MDM4 interaction at IC50s of 0.005 to 50 &mu...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238904
PNG
(US9403827, 6)
Show SMILES COc1ccncc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cccc(Cl)c1F
Show InChI InChI=1S/C26H22Cl2FN5O2/c1-14(2)33-23-22(15-7-9-16(27)10-8-15)34(19-6-4-5-18(28)21(19)29)26(35)32-24(23)31-25(33)17-13-30-12-11-20(17)36-3/h4-14,22H,1-3H3,(H,32,35)
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NOVARTIS AG

US Patent


Assay Description
Assay 1: This assay was used to evaluate compounds displaying inhibition of p53-MDM2 interaction and p53-MDM4 interaction at IC50s of 0.005 to 50 &mu...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238903
PNG
(US9403827, 5)
Show SMILES CC(C)n1c(Br)nc2=NC(=O)N(C(c12)c1ccc(Cl)cc1)c1cccc(Cl)c1F
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NOVARTIS AG

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Assay Description
Assay 1: This assay was used to evaluate compounds displaying inhibition of p53-MDM2 interaction and p53-MDM4 interaction at IC50s of 0.005 to 50 &mu...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238907
PNG
(US9403827, 9)
Show SMILES CNC(=O)c1ccc(OC)c(c1)-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C31H31Cl2N5O3/c1-16(2)37-27-26(22-11-10-20(32)13-18(22)4)38(24-15-21(33)9-7-17(24)3)31(40)36-28(27)35-29(37)23-14-19(30(39)34-5)8-12-25(23)41-6/h7-16,26H,1-6H3,(H,34,39)(H,36,40)
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Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238918
PNG
(US9403827, 20)
Show SMILES COc1nc(ncc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)c(F)c1)c1cc(Cl)c[nH]c1=O)N(C)C
Show InChI InChI=1S/C26H25Cl2FN8O3/c1-12(2)36-20-19(13-6-7-16(28)17(29)8-13)37(18-9-14(27)10-30-23(18)38)26(39)33-21(20)32-22(36)15-11-31-25(35(3)4)34-24(15)40-5/h6-12,19H,1-5H3,(H,30,38)(H,33,39)
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Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238923
PNG
(US9403827, 25)
Show SMILES COc1ncc(-c2nc3NC(=O)N(C(c3n2C(C)C)c2ccc(Cl)c(F)c2)c2cc(Cl)c[nH]c2=O)c(OC)n1
Show InChI InChI=1S/C25H22Cl2FN7O4/c1-11(2)34-19-18(12-5-6-15(27)16(28)7-12)35(17-8-13(26)9-29-22(17)36)25(37)32-20(19)31-21(34)14-10-30-24(39-4)33-23(14)38-3/h5-11,18H,1-4H3,(H,29,36)(H,32,37)
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Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238909
PNG
(US9403827, 11)
Show SMILES COc1ccc(CO)cc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C30H30Cl2N4O3/c1-16(2)35-27-26(22-10-9-20(31)12-18(22)4)36(24-14-21(32)8-6-17(24)3)30(38)34-28(27)33-29(35)23-13-19(15-37)7-11-25(23)39-5/h6-14,16,26,37H,15H2,1-5H3,(H,34,38)
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Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238921
PNG
(US9403827, 23)
Show SMILES COc1nc(ncc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)c(F)c1)c1ccc(F)c(Cl)c1)N(C)C
Show InChI InChI=1S/C27H25Cl2F2N7O2/c1-13(2)37-22-21(14-6-8-17(28)20(31)10-14)38(15-7-9-19(30)18(29)11-15)27(39)34-23(22)33-24(37)16-12-32-26(36(3)4)35-25(16)40-5/h6-13,21H,1-5H3,(H,34,39)
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Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238910
PNG
(US9403827, 12)
Show SMILES COc1ccc(cc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C#N
Show InChI InChI=1S/C30H27Cl2N5O2/c1-16(2)36-27-26(22-10-9-20(31)12-18(22)4)37(24-14-21(32)8-6-17(24)3)30(38)35-28(27)34-29(36)23-13-19(15-33)7-11-25(23)39-5/h6-14,16,26H,1-5H3,(H,35,38)
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Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238908
PNG
(US9403827, 10)
Show SMILES COc1ccc(cc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)N(C)C
Show InChI InChI=1S/C32H33Cl2N5O3/c1-17(2)38-28-27(23-12-11-21(33)14-19(23)4)39(25-16-22(34)10-8-18(25)3)32(41)36-29(28)35-30(38)24-15-20(31(40)37(5)6)9-13-26(24)42-7/h8-17,27H,1-7H3,(H,36,41)
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Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238906
PNG
(US9403827, 8)
Show SMILES COc1ccc(cc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)NCCO
Show InChI InChI=1S/C32H33Cl2N5O4/c1-17(2)38-28-27(23-10-9-21(33)14-19(23)4)39(25-16-22(34)8-6-18(25)3)32(42)37-29(28)36-30(38)24-15-20(7-11-26(24)43-5)31(41)35-12-13-40/h6-11,14-17,27,40H,12-13H2,1-5H3,(H,35,41)(H,37,42)
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Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238913
PNG
(US9403827, 15)
Show SMILES COc1ncc(-c2nc3NC(=O)N(C(c3n2C(C)C)c2ccc(Cl)c(F)c2)c2ccc(F)c(Cl)c2)c(OC)n1
Show InChI InChI=1S/C26H22Cl2F2N6O3/c1-12(2)35-21-20(13-5-7-16(27)19(30)9-13)36(14-6-8-18(29)17(28)10-14)26(37)33-22(21)32-23(35)15-11-31-25(39-4)34-24(15)38-3/h5-12,20H,1-4H3,(H,33,37)
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NOVARTIS AG

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Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238912
PNG
(US9403827, 14)
Show SMILES COc1ccccc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(cc1)C#N)c1cccc(Cl)c1F
Show InChI InChI=1S/C28H23ClFN5O2/c1-16(2)34-25-24(18-13-11-17(15-31)12-14-18)35(21-9-6-8-20(29)23(21)30)28(36)33-26(25)32-27(34)19-7-4-5-10-22(19)37-3/h4-14,16,24H,1-3H3,(H,33,36)
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Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238905
PNG
(US9403827, 7)
Show SMILES COc1ccc(F)cc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C29H27Cl2FN4O2/c1-15(2)35-26-25(21-10-8-18(30)12-17(21)4)36(23-13-19(31)7-6-16(23)3)29(37)34-27(26)33-28(35)22-14-20(32)9-11-24(22)38-5/h6-15,25H,1-5H3,(H,34,37)
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NOVARTIS AG

US Patent


Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238920
PNG
(US9403827, 22)
Show SMILES COc1nc(ncc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)cn(C)c1=O)N(C)C
Show InChI InChI=1S/C27H28Cl2N8O3/c1-14(2)36-21-20(15-7-9-16(28)10-8-15)37(19-11-17(29)13-35(5)25(19)38)27(39)32-22(21)31-23(36)18-12-30-26(34(3)4)33-24(18)40-6/h7-14,20H,1-6H3,(H,32,39)
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US Patent


Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238911
PNG
(US9403827, 13)
Show SMILES COc1ccccc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(cc1)C#N)c1cc(Cl)ccc1C
Show InChI InChI=1S/C29H26ClN5O2/c1-17(2)34-26-25(20-12-10-19(16-31)11-13-20)35(23-15-21(30)14-9-18(23)3)29(36)33-27(26)32-28(34)22-7-5-6-8-24(22)37-4/h5-15,17,25H,1-4H3,(H,33,36)
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US Patent


Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238922
PNG
(US9403827, 24)
Show SMILES COc1nc(ncc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)c(F)c1)c1cc(Cl)cn(C)c1=O)N(C)C
Show InChI InChI=1S/C27H27Cl2FN8O3/c1-13(2)37-21-20(14-7-8-17(29)18(30)9-14)38(19-10-15(28)12-36(5)25(19)39)27(40)33-22(21)32-23(37)16-11-31-26(35(3)4)34-24(16)41-6/h7-13,20H,1-6H3,(H,33,40)
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NOVARTIS AG

US Patent


Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238900
PNG
(US9403827, 2)
Show SMILES COc1ccccc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
Show InChI InChI=1S/C28H25Cl2FN4O2/c1-15(2)34-25-24(18-13-12-17(29)14-16(18)3)35(21-10-7-9-20(30)23(21)31)28(36)33-26(25)32-27(34)19-8-5-6-11-22(19)37-4/h5-15,24H,1-4H3,(H,33,36)
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NOVARTIS AG

US Patent


Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238899
PNG
(US9403827, 1)
Show SMILES COc1ccccc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cccc(Cl)c1F
Show InChI InChI=1S/C27H23Cl2FN4O2/c1-15(2)33-24-23(16-11-13-17(28)14-12-16)34(20-9-6-8-19(29)22(20)30)27(35)32-25(24)31-26(33)18-7-4-5-10-21(18)36-3/h4-15,23H,1-3H3,(H,32,35)
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NOVARTIS AG

US Patent


Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238917
PNG
(US9403827, 19)
Show SMILES COc1ncc(-c2nc3NC(=O)N(C(c3n2C(C)C)c2ccc(Cl)c(F)c2)c2cc(Cl)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C26H24Cl2FN7O4/c1-12(2)35-20-19(13-6-7-16(27)18(29)8-13)36(14-9-17(28)24(37)34(3)11-14)26(38)32-21(20)31-22(35)15-10-30-25(40-5)33-23(15)39-4/h6-12,19H,1-5H3,(H,32,38)
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n/an/a 930n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


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More data for this
Ligand-Target Pair
p53-MDM4


(Homo sapiens (Human))
BDBM238901
PNG
(US9403827, 3)
Show SMILES COc1ccccc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C29H28Cl2N4O2/c1-16(2)34-26-25(21-13-12-19(30)14-18(21)4)35(23-15-20(31)11-10-17(23)3)29(36)33-27(26)32-28(34)22-8-6-7-9-24(22)37-5/h6-16,25H,1-5H3,(H,33,36)
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n/an/a 1.45E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay 1: This assay was used to evaluate compounds displaying inhibition of p53-MDM2 interaction and p53-MDM4 interaction at IC50s of 0.005 to 50 &mu...


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More data for this
Ligand-Target Pair
p53-MDM4


(Homo sapiens (Human))
BDBM238899
PNG
(US9403827, 1)
Show SMILES COc1ccccc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cccc(Cl)c1F
Show InChI InChI=1S/C27H23Cl2FN4O2/c1-15(2)33-24-23(16-11-13-17(28)14-12-16)34(20-9-6-8-19(29)22(20)30)27(35)32-25(24)31-26(33)18-7-4-5-10-21(18)36-3/h4-15,23H,1-3H3,(H,32,35)
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n/an/a 1.51E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay 1: This assay was used to evaluate compounds displaying inhibition of p53-MDM2 interaction and p53-MDM4 interaction at IC50s of 0.005 to 50 &mu...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238915
PNG
(US9403827, 17)
Show SMILES COc1ncc(-c2nc3NC(=O)N(C(c3n2C(C)C)c2ccc(Cl)c(F)c2)c2cc(Cl)cn(C)c2=O)c(OC)n1
Show InChI InChI=1S/C26H24Cl2FN7O4/c1-12(2)35-20-19(13-6-7-16(28)17(29)8-13)36(18-9-14(27)11-34(3)24(18)37)26(38)32-21(20)31-22(35)15-10-30-25(40-5)33-23(15)39-4/h6-12,19H,1-5H3,(H,32,38)
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n/an/a 1.67E+3n/an/an/an/an/an/a



NOVARTIS AG

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Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM4


(Homo sapiens (Human))
BDBM238900
PNG
(US9403827, 2)
Show SMILES COc1ccccc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cccc(Cl)c1F
Show InChI InChI=1S/C28H25Cl2FN4O2/c1-15(2)34-25-24(18-13-12-17(29)14-16(18)3)35(21-10-7-9-20(30)23(21)31)28(36)33-26(25)32-27(34)19-8-5-6-11-22(19)37-4/h5-15,24H,1-4H3,(H,33,36)
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n/an/a 2.13E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay 1: This assay was used to evaluate compounds displaying inhibition of p53-MDM2 interaction and p53-MDM4 interaction at IC50s of 0.005 to 50 &mu...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238916
PNG
(US9403827, 18)
Show SMILES COc1ncc(-c2nc3NC(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)cn(C)c2=O)c(OC)n1
Show InChI InChI=1S/C26H25Cl2N7O4/c1-13(2)34-20-19(14-6-8-15(27)9-7-14)35(18-10-16(28)12-33(3)24(18)36)26(37)31-21(20)30-22(34)17-11-29-25(39-5)32-23(17)38-4/h6-13,19H,1-5H3,(H,31,37)
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n/an/a 2.91E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238914
PNG
(US9403827, 16)
Show SMILES COc1ncc(-c2nc3NC(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2C)c2cc(Cl)c(=O)n(C)c2)c(OC)n1
Show InChI InChI=1S/C27H27Cl2N7O4/c1-13(2)35-21-20(17-8-7-15(28)9-14(17)3)36(16-10-19(29)25(37)34(4)12-16)27(38)32-22(21)31-23(35)18-11-30-26(40-6)33-24(18)39-5/h7-13,20H,1-6H3,(H,32,38)
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n/an/a 3.11E+3n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM2


(Homo sapiens (Human))
BDBM238919
PNG
(US9403827, 21)
Show SMILES COc1nc(N)ncc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)cn(C)c1=O
Show InChI InChI=1S/C25H24Cl2N8O3/c1-12(2)34-19-18(13-5-7-14(26)8-6-13)35(17-9-15(27)11-33(3)23(17)36)25(37)31-20(19)30-21(34)16-10-29-24(28)32-22(16)38-4/h5-12,18H,1-4H3,(H,31,37)(H2,28,29,32)
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n/an/a 4.30E+3n/an/an/an/an/an/a



NOVARTIS AG

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Assay Description
Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM4


(Homo sapiens (Human))
BDBM238904
PNG
(US9403827, 6)
Show SMILES COc1ccncc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1)c1cccc(Cl)c1F
Show InChI InChI=1S/C26H22Cl2FN5O2/c1-14(2)33-23-22(15-7-9-16(27)10-8-15)34(19-6-4-5-18(28)21(19)29)26(35)32-24(23)31-25(33)17-13-30-12-11-20(17)36-3/h4-14,22H,1-3H3,(H,32,35)
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n/an/a 1.40E+4n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay 1: This assay was used to evaluate compounds displaying inhibition of p53-MDM2 interaction and p53-MDM4 interaction at IC50s of 0.005 to 50 &mu...


Citation and Details
More data for this
Ligand-Target Pair
p53-MDM4


(Homo sapiens (Human))
BDBM238902
PNG
(US9403827, 4)
Show SMILES COc1ccncc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Show InChI InChI=1S/C28H27Cl2N5O2/c1-15(2)34-25-24(20-9-8-18(29)12-17(20)4)35(22-13-19(30)7-6-16(22)3)28(36)33-26(25)32-27(34)21-14-31-11-10-23(21)37-5/h6-15,24H,1-5H3,(H,33,36)
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n/an/a 1.67E+4n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Assay 1: This assay was used to evaluate compounds displaying inhibition of p53-MDM2 interaction and p53-MDM4 interaction at IC50s of 0.005 to 50 &mu...


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