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Compile Data Set for Download or QSAR

Found 344 hits with Last Name = 'buschmann' and Initial = 'n'   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162123
PNG
(US9051279, 106)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;-.67,1.54,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;3.33,-5.39,;3.33,-3.85,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;6,-3.85,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-6,-3.08,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-4.67,-.77,;-6,3.08,;-4.67,3.85,;-4.67,5.39,;-6,6.16,;-6,7.7,;-7.34,5.39,;-8.67,6.16,;-7.34,3.85,)|
Show InChI InChI=1/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/s2
PDB
MMDB

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1.30n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)


BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
PDB
MMDB

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6.40n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)


BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Canis lupus familiaris)
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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11n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of dog MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)


BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Mus musculus)
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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20n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mouse MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)


BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Canis lupus familiaris)
BDBM162123
PNG
(US9051279, 106)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;-.67,1.54,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;3.33,-5.39,;3.33,-3.85,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;6,-3.85,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-6,-3.08,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-4.67,-.77,;-6,3.08,;-4.67,3.85,;-4.67,5.39,;-6,6.16,;-6,7.7,;-7.34,5.39,;-8.67,6.16,;-7.34,3.85,)|
Show InChI InChI=1/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/s2
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21n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of dog MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)


BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Mus musculus)
BDBM162123
PNG
(US9051279, 106)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;-.67,1.54,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;3.33,-5.39,;3.33,-3.85,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;6,-3.85,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-6,-3.08,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-4.67,-.77,;-6,3.08,;-4.67,3.85,;-4.67,5.39,;-6,6.16,;-6,7.7,;-7.34,5.39,;-8.67,6.16,;-7.34,3.85,)|
Show InChI InChI=1/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/s2
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66n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of mouse MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)


BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209374
PNG
(US9266883, 240)
Show SMILES CC(C)Sc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C23H26N6O3S/c1-14(2)33-20-9-21(25-11-18(20)10-24)27-23(32)29-7-5-6-16-8-17(12-28(4)15(3)31)19(13-30)26-22(16)29/h8-9,11,13-14H,5-7,12H2,1-4H3,(H,25,27,32)
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n/an/a<0.100n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209350
PNG
(US9266883, 149)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCSCC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C24H27N7O4S/c1-35-7-4-26-19-10-21(27-12-18(19)11-25)29-24(34)31-5-2-3-16-9-17(20(14-32)28-23(16)31)13-30-6-8-36-15-22(30)33/h9-10,12,14H,2-8,13,15H2,1H3,(H2,26,27,29,34)
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n/an/a 0.100n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209340
PNG
(US9266883, 115)
Show SMILES COC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CN4[C@@H](C)COC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1/C25H28N6O6/c1-15-13-36-25(34)31(15)11-18-7-17-5-4-6-30(23(17)28-20(18)12-32)24(33)29-22-8-21(19(9-26)10-27-22)37-16(2)14-35-3/h7-8,10,12,15-16H,4-6,11,13-14H2,1-3H3,(H,27,29,33)/t15-,16+/s2
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n/an/a 0.200n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209388
PNG
(US9266883, 263)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(N4CCOC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C22H23N7O5/c1-33-7-4-24-16-10-19(25-12-15(16)11-23)27-21(31)29-5-2-3-14-9-18(17(13-30)26-20(14)29)28-6-8-34-22(28)32/h9-10,12-13H,2-8H2,1H3,(H2,24,25,27,31)
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n/an/a 0.200n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209258
PNG
(US9266883, 16)
Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1Cl
Show InChI InChI=1S/C23H23ClN6O4S/c1-14(2)35(33,34)19-8-4-3-7-18(19)27-20-17(24)12-25-22(28-20)29-23(32)30-11-5-6-15-9-10-16(13-31)26-21(15)30/h3-4,7-10,12-14H,5-6,11H2,1-2H3,(H2,25,27,28,29,32)
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n/an/a 0.200n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209277
PNG
(US9266883, 35)
Show SMILES O=Cc1ccc2CCCN(C(=O)Nc3cc(OCC4CCO4)c(cn3)C#N)c2n1
Show InChI InChI=1/C20H19N5O4/c21-9-14-10-22-18(8-17(14)29-12-16-5-7-28-16)24-20(27)25-6-1-2-13-3-4-15(11-26)23-19(13)25/h3-4,8,10-11,16H,1-2,5-7,12H2,(H,22,24,27)
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n/an/a 0.300n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209342
PNG
(US9266883, 120)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4[C@@H](C)COCC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1/C25H29N7O5/c1-16-14-37-15-23(34)32(16)12-18-8-17-4-3-6-31(24(17)29-21(18)13-33)25(35)30-22-9-20(27-5-7-36-2)19(10-26)11-28-22/h8-9,11,13,16H,3-7,12,14-15H2,1-2H3,(H2,27,28,30,35)/t16-/s2
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n/an/a 0.300n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209345
PNG
(US9266883, 141)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CO)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C23H26N6O5/c1-14(2)34-19-8-20(25-10-17(19)9-24)27-23(33)29-6-4-5-15-7-16(11-28(3)21(32)13-31)18(12-30)26-22(15)29/h7-8,10,12,14,31H,4-6,11,13H2,1-3H3,(H,25,27,33)
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n/an/a 0.300n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209349
PNG
(US9266883, 148)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)COC)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C24H29N7O5/c1-30(22(33)15-36-3)13-17-9-16-5-4-7-31(23(16)28-20(17)14-32)24(34)29-21-10-19(26-6-8-35-2)18(11-25)12-27-21/h9-10,12,14H,4-8,13,15H2,1-3H3,(H2,26,27,29,34)
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n/an/a 0.300n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209354
PNG
(US9266883, 188)
Show SMILES CN(Cc1cc2CCCN(C(=O)Nc3cc(NCCOC(F)(F)F)c(cn3)C#N)c2nc1C=O)C(C)=O
Show InChI InChI=1S/C23H24F3N7O4/c1-14(35)32(2)12-16-8-15-4-3-6-33(21(15)30-19(16)13-34)22(36)31-20-9-18(17(10-27)11-29-20)28-5-7-37-23(24,25)26/h8-9,11,13H,3-7,12H2,1-2H3,(H2,28,29,31,36)
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n/an/a 0.400n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209348
PNG
(US9266883, 145)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H31N7O4/c1-16(2)36-21-10-22(27-12-19(21)11-26)29-25(35)32-8-6-7-17-9-18(20(15-33)28-24(17)32)13-31(5)23(34)14-30(3)4/h9-10,12,15-16H,6-8,13-14H2,1-5H3,(H,27,29,35)
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n/an/a 0.400n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209334
PNG
(US9266883, 98)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C24H27N7O5/c1-35-7-4-26-19-10-21(27-12-18(19)11-25)29-24(34)31-5-2-3-16-9-17(20(14-32)28-23(16)31)13-30-6-8-36-15-22(30)33/h9-10,12,14H,2-8,13,15H2,1H3,(H2,26,27,29,34)
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n/an/a 0.400n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209361
PNG
(US9266883, 205)
Show SMILES COC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1/C26H31N7O5/c1-17(16-37-3)38-22-10-23(28-12-20(22)11-27)30-26(36)33-6-4-5-18-9-19(21(15-34)29-25(18)33)13-32-8-7-31(2)14-24(32)35/h9-10,12,15,17H,4-8,13-14,16H2,1-3H3,(H,28,30,36)/t17-/s2
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n/an/a 0.600n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209341
PNG
(US9266883, 118)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4[C@H](C)COCC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1/C25H29N7O5/c1-16-14-37-15-23(34)32(16)12-18-8-17-4-3-6-31(24(17)29-21(18)13-33)25(35)30-22-9-20(27-5-7-36-2)19(10-26)11-28-22/h8-9,11,13,16H,3-7,12,14-15H2,1-2H3,(H2,27,28,30,35)/t16-/s2
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209368
PNG
(US9266883, 228)
Show SMILES COCCNc1cc(NC(=O)N2[C@@H](C)CCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1/C26H32N8O4/c1-17-4-5-18-10-19(14-33-8-7-32(2)15-24(33)36)22(16-35)30-25(18)34(17)26(37)31-23-11-21(28-6-9-38-3)20(12-27)13-29-23/h10-11,13,16-17H,4-9,14-15H2,1-3H3,(H2,28,29,31,37)/t17-/s2
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n/an/a 0.600n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209367
PNG
(US9266883, 227)
Show SMILES CC(C)Oc1cc(NC(=O)N2[C@@H](C)CCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1/C26H31N7O4/c1-16(2)37-22-10-23(28-12-20(22)11-27)30-26(36)33-17(3)5-6-18-9-19(21(15-34)29-25(18)33)13-32-8-7-31(4)14-24(32)35/h9-10,12,15-17H,5-8,13-14H2,1-4H3,(H,28,30,36)/t17-/s2
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n/an/a 0.700n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209332
PNG
(US9266883, 92)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H29N7O4/c1-16(2)36-21-10-22(27-12-19(21)11-26)29-25(35)32-6-4-5-17-9-18(20(15-33)28-24(17)32)13-31-8-7-30(3)14-23(31)34/h9-10,12,15-16H,4-8,13-14H2,1-3H3,(H,27,29,35)
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209333
PNG
(US9266883, 95)
Show SMILES CC(C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C25H30N8O3/c1-16(2)28-20-10-22(27-12-19(20)11-26)30-25(36)33-6-4-5-17-9-18(21(15-34)29-24(17)33)13-32-8-7-31(3)14-23(32)35/h9-10,12,15-16H,4-8,13-14H2,1-3H3,(H2,27,28,30,36)
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209282
PNG
(US9266883, 40)
Show SMILES O=Cc1ccc2CCCN(C(=O)Nc3cc(OC4CCOC4)c(cn3)C#N)c2n1
Show InChI InChI=1/C20H19N5O4/c21-9-14-10-22-18(8-17(14)29-16-5-7-28-12-16)24-20(27)25-6-1-2-13-3-4-15(11-26)23-19(13)25/h3-4,8,10-11,16H,1-2,5-7,12H2,(H,22,24,27)
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209275
PNG
(US9266883, 33)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C19H19N5O3/c1-12(2)27-16-8-17(21-10-14(16)9-20)23-19(26)24-7-3-4-13-5-6-15(11-25)22-18(13)24/h5-6,8,10-12H,3-4,7H2,1-2H3,(H,21,23,26)
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n/an/a 0.700n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162123
PNG
(US9051279, 106)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;-.67,1.54,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;3.33,-5.39,;3.33,-3.85,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;6,-3.85,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-6,-3.08,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-4.67,-.77,;-6,3.08,;-4.67,3.85,;-4.67,5.39,;-6,6.16,;-6,7.7,;-7.34,5.39,;-8.67,6.16,;-7.34,3.85,)|
Show InChI InChI=1/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/s2
PDB
MMDB

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Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209307
PNG
(US9266883, 65)
Show SMILES OC[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1Nc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1/C25H28N6O4/c26-9-18-10-27-22(8-20(18)28-23-15-4-3-14(6-15)19(23)12-33)30-25(35)31-5-1-2-16-7-17(11-32)21(13-34)29-24(16)31/h7-8,10,13-15,19,23,32-33H,1-6,11-12H2,(H2,27,28,30,35)/t14-,15+,19+,23-/s2
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n/an/a 0.800n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209302
PNG
(US9266883, 60)
Show SMILES OCc1cc2CCCN(C(=O)Nc3cc(OCC(O)CCCl)c(cn3)C#N)c2nc1C=O
Show InChI InChI=1/C21H22ClN5O5/c22-4-3-16(30)12-32-18-7-19(24-9-15(18)8-23)26-21(31)27-5-1-2-13-6-14(10-28)17(11-29)25-20(13)27/h6-7,9,11,16,28,30H,1-5,10,12H2,(H,24,26,31)
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n/an/a 0.800n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209337
PNG
(US9266883, 105)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](O)C4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1/C24H27N7O5/c1-36-8-5-26-18-10-21(27-12-17(18)11-25)29-24(35)31-6-2-3-15-9-16(19(14-32)28-22(15)31)13-30-7-4-20(33)23(30)34/h9-10,12,14,20,33H,2-8,13H2,1H3,(H2,26,27,29,35)/t20-/s2
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n/an/a 0.800n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209335
PNG
(US9266883, 100)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4CC[C@H](O)C4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1/C24H27N7O5/c1-36-8-5-26-18-10-21(27-12-17(18)11-25)29-24(35)31-6-2-3-15-9-16(19(14-32)28-22(15)31)13-30-7-4-20(33)23(30)34/h9-10,12,14,20,33H,2-8,13H2,1H3,(H2,26,27,29,35)/t20-/s2
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n/an/a 0.900n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209389
PNG
(US9266883, 264)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCCc3cc(C4CCOC4)c(C=O)nc23)ncc1C#N
Show InChI InChI=1/C23H25N5O4/c1-14(2)32-20-9-21(25-11-17(20)10-24)27-23(30)28-6-3-4-15-8-18(16-5-7-31-13-16)19(12-29)26-22(15)28/h8-9,11-12,14,16H,3-7,13H2,1-2H3,(H,25,27,30)
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209370
PNG
(US9266883, 234)
Show SMILES CC(C)Oc1cc(NC(=O)N2CCc3ccc(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C18H17N5O3/c1-11(2)26-15-7-16(20-9-13(15)8-19)22-18(25)23-6-5-12-3-4-14(10-24)21-17(12)23/h3-4,7,9-11H,5-6H2,1-2H3,(H,20,22,25)
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n/an/a 1.10n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209276
PNG
(US9266883, 34)
Show SMILES O=Cc1ccc2CCCN(C(=O)Nc3cc(OCC4CCCO4)c(cn3)C#N)c2n1
Show InChI InChI=1/C21H21N5O4/c22-10-15-11-23-19(9-18(15)30-13-17-4-2-8-29-17)25-21(28)26-7-1-3-14-5-6-16(12-27)24-20(14)26/h5-6,9,11-12,17H,1-4,7-8,13H2,(H,23,25,28)
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209382
PNG
(US9266883, 254)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(c(C=O)nc23)-n2ccnc2)ncc1C#N
Show InChI InChI=1S/C22H22N8O3/c1-33-8-5-25-17-10-20(26-12-16(17)11-23)28-22(32)30-6-2-3-15-9-19(29-7-4-24-14-29)18(13-31)27-21(15)30/h4,7,9-10,12-14H,2-3,5-6,8H2,1H3,(H2,25,26,28,32)
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n/an/a 1.10n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209392
PNG
(US9266883, 267)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(C4CCN(CC(F)F)CC4)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C26H31F2N7O3/c1-38-10-6-30-21-12-24(31-14-19(21)13-29)33-26(37)35-7-2-3-18-11-20(22(16-36)32-25(18)35)17-4-8-34(9-5-17)15-23(27)28/h11-12,14,16-17,23H,2-10,15H2,1H3,(H2,30,31,33,37)
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209268
PNG
(US9266883, 26)
Show SMILES CC1(O)CCN(CC1)c1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C22H24N6O3/c1-22(31)6-9-27(10-7-22)18-11-19(24-13-16(18)12-23)26-21(30)28-8-2-3-15-4-5-17(14-29)25-20(15)28/h4-5,11,13-14,31H,2-3,6-10H2,1H3,(H,24,26,30)
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209357
PNG
(US9266883, 197 | US9266883, 199)
Show SMILES CN1CCN(Cc2cc3CCCN(C(=O)Nc4cc(NCCO)c(cn4)C#N)c3nc2C=O)C(=O)C1
Show InChI InChI=1S/C24H28N8O4/c1-30-6-7-31(22(35)14-30)13-17-9-16-3-2-5-32(23(16)28-20(17)15-34)24(36)29-21-10-19(26-4-8-33)18(11-25)12-27-21/h9-10,12,15,33H,2-8,13-14H2,1H3,(H2,26,27,29,36)
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209278
PNG
(US9266883, 36)
Show SMILES O=Cc1ccc2CCCN(C(=O)Nc3cc(OCC4CCCCO4)c(cn3)C#N)c2n1
Show InChI InChI=1/C22H23N5O4/c23-11-16-12-24-20(10-19(16)31-14-18-5-1-2-9-30-18)26-22(29)27-8-3-4-15-6-7-17(13-28)25-21(15)27/h6-7,10,12-13,18H,1-5,8-9,14H2,(H,24,26,29)
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209351
PNG
(US9266883, 150)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCS(=O)(=O)CC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C24H27N7O6S/c1-37-7-4-26-19-10-21(27-12-18(19)11-25)29-24(34)31-5-2-3-16-9-17(20(14-32)28-23(16)31)13-30-6-8-38(35,36)15-22(30)33/h9-10,12,14H,2-8,13,15H2,1H3,(H2,26,27,29,34)
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162165
PNG
(US9051279, 148)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C(C)C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6.87,2.87,;6.87,1.33,;5.54,.56,;4.21,1.33,;2.87,.56,;1.54,1.33,;.21,.56,;-1.13,1.33,;.21,-.98,;1.54,-1.75,;1.54,-3.29,;.21,-4.06,;.21,-5.6,;1.54,-6.37,;1.54,-7.91,;2.87,-5.6,;2.87,-4.06,;2.87,-.98,;4.21,-1.75,;5.54,-.98,;6.87,-1.75,;8.21,-.98,;9.54,-1.75,;8.21,.56,;-1.13,-1.75,;-1.13,-3.29,;-2.46,-4.06,;-3.79,-3.29,;-3.79,-1.75,;-2.46,-.98,;-5.13,-4.06,;-5.13,-5.6,;-6.46,-3.29,;-6.46,-1.75,;-5.13,-.98,;-5.13,.56,;-6.46,1.33,;-7.8,.56,;-7.8,-.98,;-6.46,2.87,;-7.71,3.78,;-7.23,5.24,;-8,6.57,;-7.23,7.91,;-9.54,6.57,;-5.69,5.24,;-4.92,6.57,;-5.22,3.78,)|
Show InChI InChI=1/C38H48ClN5O4/c1-24(2)43-23-42(22-37(43)46)30-13-7-26(8-14-30)21-41(5)31-15-16-35(40-20-31)44-36(45)18-28-17-33(47-6)34(48-25(3)4)19-32(28)38(44)27-9-11-29(39)12-10-27/h9-12,15-17,19-20,24-26,30,38H,7-8,13-14,18,21-23H2,1-6H3/t26-,30-,38-/s2
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Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209265
PNG
(US9266883, 23)
Show SMILES COCCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C19H19N5O4/c1-27-7-8-28-16-9-17(21-11-14(16)10-20)23-19(26)24-6-2-3-13-4-5-15(12-25)22-18(13)24/h4-5,9,11-12H,2-3,6-8H2,1H3,(H,21,23,26)
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209339
PNG
(US9266883, 110)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCNCC4=O)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C24H28N8O4/c1-36-8-5-27-19-10-21(28-12-18(19)11-25)30-24(35)32-6-2-3-16-9-17(20(15-33)29-23(16)32)14-31-7-4-26-13-22(31)34/h9-10,12,15,26H,2-8,13-14H2,1H3,(H2,27,28,30,35)
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162077
PNG
(US9051279, 84)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCCNC(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6.94,3.45,;6.94,1.91,;5.61,1.14,;4.28,1.91,;2.94,1.14,;1.61,1.91,;.28,1.14,;-1.06,1.91,;.28,-.4,;1.61,-1.17,;1.61,-2.71,;.28,-3.48,;.28,-5.02,;1.61,-5.79,;1.61,-7.33,;2.94,-5.02,;2.94,-3.48,;2.94,-.4,;4.28,-1.17,;5.61,-.4,;6.94,-1.17,;8.28,-.4,;9.61,-1.17,;8.28,1.14,;-1.06,-1.17,;-2.39,-.4,;-3.73,-1.17,;-3.73,-2.71,;-2.39,-3.48,;-1.06,-2.71,;-5.06,-3.48,;-5.06,-5.02,;-6.39,-2.71,;-6.39,-1.17,;-5.06,-.4,;-5.06,1.14,;-6.39,1.91,;-7.73,1.14,;-7.73,-.4,;-6.39,3.45,;-5.01,4.12,;-4.66,5.62,;-5.62,6.82,;-7.18,7.33,;-8.12,5.62,;-9.61,6.02,;-7.78,4.12,)|
Show InChI InChI=1/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-4)21-37(45)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(3)23-26-6-12-31(13-7-26)42-19-5-18-40-36(44)24-42/h8-11,14-17,20,22,25-26,31,38H,5-7,12-13,18-19,21,23-24H2,1-4H3,(H,40,44)/t26-,31-,38-/s2
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Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162130
PNG
(US9051279, 113)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(CC1)C(C)=O |r,wU:33.36,wD:9.9,36.43,(8,.38,;6.67,1.15,;5.33,.38,;4,1.15,;2.67,.38,;1.33,1.15,;,.38,;-1.33,1.15,;,-1.15,;1.33,-1.93,;1.33,-3.47,;,-4.23,;,-5.78,;1.33,-6.54,;1.33,-8.08,;2.67,-5.78,;2.67,-4.23,;2.67,-1.15,;4,-1.93,;5.33,-1.15,;6.67,-1.93,;6.67,-3.47,;8,-4.23,;5.33,-4.23,;-1.33,-1.93,;-2.67,-1.15,;-4,-1.93,;-4,-3.47,;-2.67,-4.23,;-1.33,-3.47,;-5.33,-4.23,;-5.33,-5.78,;-6.67,-3.47,;-6.67,-1.93,;-8,-1.15,;-8,.38,;-6.67,1.15,;-5.33,.38,;-5.33,-1.15,;-6.67,2.69,;-5.33,3.47,;-5.33,5,;-6.67,5.78,;-8,5,;-8,3.47,;-6.67,7.31,;-8,8.08,;-5.33,8.08,)|
Show InChI InChI=1/C39H49ClN4O4/c1-26(2)48-37-24-35-30(22-36(37)47-5)23-38(46)44(39(35)29-8-10-31(40)11-9-29)34-16-14-32(15-17-34)41(4)25-28-6-12-33(13-7-28)43-20-18-42(19-21-43)27(3)45/h8-11,14-17,22,24,26,28,33,39H,6-7,12-13,18-21,23,25H2,1-5H3/t28-,33-,39-/s2
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Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162069
PNG
(US9051279, 79)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCNC(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6,3.85,;6,2.31,;4.67,1.54,;3.33,2.31,;2,1.54,;.67,2.31,;-.67,1.54,;-2,2.31,;-.67,,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-.67,-4.62,;.67,-5.39,;.67,-6.93,;2,-4.62,;2,-3.08,;2,,;3.33,-.77,;4.67,,;6,-.77,;7.34,,;8.67,-.77,;7.34,1.54,;-2,-.77,;-3.33,,;-4.67,-.77,;-4.67,-2.31,;-3.33,-3.08,;-2,-2.31,;-6,-3.08,;-6,-4.62,;-7.34,-2.31,;-7.34,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,3.85,;-8.67,4.62,;-8.67,6.16,;-7.34,6.93,;-6,6.16,;-4.67,6.93,;-6,4.62,)|
Show InChI InChI=1/C37H45ClN4O4/c1-24(2)46-34-21-32-27(19-33(34)45-4)20-36(44)42(37(32)26-7-9-28(38)10-8-26)31-15-13-29(14-16-31)40(3)22-25-5-11-30(12-6-25)41-18-17-39-35(43)23-41/h7-10,13-16,19,21,24-25,30,37H,5-6,11-12,17-18,20,22-23H2,1-4H3,(H,39,43)/t25-,30-,37-/s2
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Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162147
PNG
(US9051279, 130)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(12,5,;10.67,5.78,;9.34,5,;8,5.78,;6.67,5,;5.33,5.78,;4,5,;2.67,5.78,;4,3.47,;5.33,2.69,;5.33,1.15,;4,.38,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;6.67,-1.15,;6.67,.38,;6.67,3.47,;8,2.69,;9.34,3.47,;10.67,2.69,;10.67,1.15,;12,.38,;9.34,.38,;2.67,2.69,;2.67,1.15,;1.33,.38,;,1.15,;,2.69,;1.33,3.47,;-1.33,.38,;-1.33,-1.15,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-6.67,.38,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-8,-1.93,;-9.34,-1.15,;-10.67,-1.93,;-10.67,-3.47,;-12,-4.23,;-9.34,-4.23,;-9.34,-5.78,;-8,-3.47,)|
Show InChI InChI=1/C37H46ClN5O4/c1-24(2)47-33-20-31-27(18-32(33)46-5)19-35(44)43(37(31)26-8-10-28(38)11-9-26)30-14-15-34(39-21-30)41(4)22-25-6-12-29(13-7-25)42-17-16-40(3)36(45)23-42/h8-11,14-15,18,20-21,24-25,29,37H,6-7,12-13,16-17,19,22-23H2,1-5H3/t25-,29-,37-/s2
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Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4 (FGFR4)


(Homo sapiens (Human))
BDBM209298
PNG
(US9266883, 56)
Show SMILES OCc1cc2CCCN(C(=O)Nc3cc(NC4CCOC4)c(cn3)C#N)c2nc1C=O
Show InChI InChI=1/C21H22N6O4/c22-8-15-9-23-19(7-17(15)24-16-3-5-31-12-16)26-21(30)27-4-1-2-13-6-14(10-28)18(11-29)25-20(13)27/h6-7,9,11,16,28H,1-5,10,12H2,(H2,23,24,26,30)
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Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...


US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162122
PNG
(US9051279, 105)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.11,1.23,;6.77,2,;5.44,1.23,;4.1,2,;2.77,1.23,;1.44,2,;.1,1.23,;-1.23,2,;.1,-.31,;1.44,-1.08,;1.44,-2.62,;.1,-3.39,;.1,-4.93,;1.44,-5.7,;1.44,-7.24,;2.77,-4.93,;2.77,-3.39,;2.77,-.31,;4.1,-1.08,;5.44,-.31,;6.77,-1.08,;6.77,-2.62,;8.11,-3.39,;5.44,-3.39,;-1.23,-1.08,;-2.56,-.31,;-3.9,-1.08,;-3.9,-2.62,;-2.56,-3.39,;-1.23,-2.62,;-5.23,-3.39,;-5.23,-4.93,;-6.57,-2.62,;-6.57,-1.08,;-7.9,-.31,;-7.9,1.23,;-6.57,2,;-5.23,1.23,;-5.23,-.31,;-6.57,3.54,;-5.32,4.44,;-5.8,5.91,;-5.03,7.24,;-7.34,5.91,;-8.11,7.24,;-7.81,4.44,)|
Show InChI InChI=1/C37H45ClN4O4/c1-24(2)46-34-20-32-27(18-33(34)45-5)19-35(43)42(37(32)26-8-10-28(38)11-9-26)31-16-14-29(15-17-31)39(3)21-25-6-12-30(13-7-25)41-22-36(44)40(4)23-41/h8-11,14-18,20,24-25,30,37H,6-7,12-13,19,21-23H2,1-5H3/t25-,30-,37-/s2
PDB
MMDB

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US Patent
n/an/a 1.80n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162076
PNG
(US9051279, 83)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(CC(N)=O)CC(N)=O |r,wU:36.43,wD:9.9,33.36,(7.33,3.85,;7.33,2.31,;5.99,1.54,;4.66,2.31,;3.33,1.54,;1.99,2.31,;.66,1.54,;-.68,2.31,;.66,,;1.99,-.77,;1.99,-2.31,;.66,-3.08,;.66,-4.62,;1.99,-5.39,;1.99,-6.93,;3.33,-4.62,;3.33,-3.08,;3.33,,;4.66,-.77,;5.99,,;7.33,-.77,;8.66,,;9.99,-.77,;8.66,1.54,;-.68,-.77,;-2.01,,;-3.34,-.77,;-3.34,-2.31,;-2.01,-3.08,;-.68,-2.31,;-4.68,-3.08,;-4.68,-4.62,;-6.01,-2.31,;-6.01,-.77,;-4.68,,;-4.68,1.54,;-6.01,2.31,;-7.34,1.54,;-7.34,,;-6.01,3.85,;-4.68,4.62,;-4.68,6.16,;-3.34,6.93,;-6.01,6.93,;-7.33,4.62,;-8.66,3.85,;-9.99,4.62,;-8.66,2.31,)|
Show InChI InChI=1/C37H46ClN5O5/c1-23(2)48-33-19-31-26(17-32(33)47-4)18-36(46)43(37(31)25-7-9-27(38)10-8-25)30-15-13-28(14-16-30)41(3)20-24-5-11-29(12-6-24)42(21-34(39)44)22-35(40)45/h7-10,13-17,19,23-24,29,37H,5-6,11-12,18,20-22H2,1-4H3,(H2,39,44)(H2,40,45)/t24-,29-,37-/s2
PDB
MMDB

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UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair
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