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Compile Data Set for Download or QSAR

Found 388 hits with Last Name = 'berghausen' and Initial = 'j'   
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
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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
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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 3


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 0.700n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR3 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
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
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n/an/a 0.800n/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
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 0.900n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR1


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR3


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
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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n/an/a 1.20n/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))
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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n/an/a 1.40n/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
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 1.40n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR2


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 1.40n/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))
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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n/an/a 1.60n/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))
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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n/an/a 1.70n/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
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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))
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
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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))
BDBM162023
PNG
(US9051279, 73a | US9051279, 73b)
Show SMILES CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(Cl)cc1 |r,wU:30.36,wD:8.39,2.2,27.29,(9.34,7.63,;8,6.86,;6.67,7.63,;6.67,9.17,;5.33,6.86,;4,7.63,;2.67,6.86,;1.33,7.63,;,6.86,;-1.33,7.63,;-1.33,9.17,;-2.67,9.94,;,9.94,;1.33,9.17,;2.67,9.94,;4,9.17,;5.33,9.94,;5.33,11.48,;-2.67,6.86,;-2.67,5.32,;-4,4.55,;-5.33,5.32,;-5.33,6.86,;-4,7.63,;-6.67,4.55,;-6.67,3.01,;-8,5.32,;-8,6.86,;-6.67,7.63,;-6.67,9.17,;-8,9.94,;-9.34,9.17,;-9.34,7.63,;-8,11.48,;-9.34,12.25,;-6.67,12.25,;,5.32,;-1.33,4.55,;-1.33,3.01,;,2.24,;,.7,;1.33,3.01,;1.33,4.55,)|
Show InChI InChI=1/C36H46ClN3O3/c1-7-24(2)43-34-22-32-27(20-33(34)42-6)21-35(41)40(36(32)26-10-12-28(37)13-11-26)31-18-16-30(17-19-31)39(5)23-25-8-14-29(15-9-25)38(3)4/h10-13,16-20,22,24-25,29,36H,7-9,14-15,21,23H2,1-6H3/t24-,25-,29-,36+/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 3


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 2n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR3-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162120
PNG
(US9051279, 103)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1OC)N(C)C[C@H]1CC[C@@H](CC1)N1CCNC(=O)C1 |r,wU:35.38,wD:9.9,38.45,(8.67,1.54,;7.34,2.31,;6,1.54,;4.67,2.31,;3.33,1.54,;2,2.31,;.67,1.54,;-.67,2.31,;.67,,;2,-.77,;2,-2.31,;.67,-3.08,;.67,-4.62,;2,-5.39,;2,-6.93,;3.33,-4.62,;3.33,-3.08,;3.33,,;4.67,-.77,;6,,;7.34,-.77,;7.34,-2.31,;8.67,-3.08,;6,-3.08,;-.67,-.77,;-.67,-2.31,;-2,-3.08,;-3.33,-2.31,;-3.33,-.77,;-2,,;-2,1.54,;-3.33,2.31,;-4.67,-3.08,;-4.67,-4.62,;-6,-2.31,;-6,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-4.67,1.54,;-4.67,,;-6,3.85,;-4.67,4.62,;-4.67,6.16,;-6,6.93,;-7.34,6.16,;-8.67,6.93,;-7.34,4.62,)|
Show InChI InChI=1/C38H47ClN4O5/c1-24(2)48-35-21-31-27(18-34(35)47-5)19-37(45)43(38(31)26-8-10-28(39)11-9-26)32-15-14-30(20-33(32)46-4)41(3)22-25-6-12-29(13-7-25)42-17-16-40-36(44)23-42/h8-11,14-15,18,20-21,24-25,29,38H,6-7,12-13,16-17,19,22-23H2,1-5H3,(H,40,44)/t25-,29-,38-/s2
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US Patent
n/an/a 2n/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
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 2n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR2 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162221
PNG
(US9051279, 204)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC1CCC1)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:37.45,wD:9.9,34.38,(11.96,4.75,;10.62,5.52,;9.29,4.75,;7.96,5.52,;6.62,4.75,;5.29,5.52,;3.96,4.75,;2.62,5.52,;3.96,3.21,;5.29,2.44,;5.29,.9,;3.96,.13,;3.96,-1.41,;5.29,-2.18,;5.29,-3.72,;6.62,-1.41,;6.62,.13,;6.62,3.21,;7.96,2.44,;9.29,3.21,;10.62,2.44,;10.62,.9,;9.53,-.18,;10.62,-1.27,;11.71,-.18,;2.62,2.44,;1.29,3.21,;-.05,2.44,;-.05,.9,;1.29,.13,;2.62,.9,;-1.38,.13,;-1.38,-1.41,;-2.71,.9,;-4.05,.13,;-5.38,.9,;-6.71,.13,;-6.71,-1.41,;-5.38,-2.18,;-4.05,-1.41,;-8.05,-2.18,;-8.05,-3.72,;-9.51,-4.19,;-10.28,-5.52,;-10.42,-2.95,;-11.96,-2.95,;-9.51,-1.7,)|
Show InChI InChI=1/C37H44ClN5O4/c1-40(21-24-7-13-28(14-8-24)42-22-36(45)41(2)23-42)34-16-15-29(20-39-34)43-35(44)18-26-17-32(46-3)33(47-30-5-4-6-30)19-31(26)37(43)25-9-11-27(38)12-10-25/h9-12,15-17,19-20,24,28,30,37H,4-8,13-14,18,21-23H2,1-3H3/t24-,28-,37-/s2
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n/an/a 2.10n/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))
BDBM161883
PNG
(US9051279, 53)
Show SMILES CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)CC)c1ccc(Cl)cc1 |r,wU:27.29,wD:30.36,2.2,(9.34,.38,;8,-.38,;6.67,.38,;6.67,1.93,;5.33,-.38,;4,.38,;2.67,-.38,;1.33,.38,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;,2.69,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;-2.67,-.38,;-4,.38,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,;-2.67,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-8,-1.93,;-8,-.38,;-9.34,.38,;-9.34,1.93,;-8,2.69,;-6.67,1.93,;-6.67,.38,;-8,4.23,;-9.34,5,;-6.67,5,;-6.67,6.54,;,-1.93,;-1.33,-2.69,;-1.33,-4.23,;,-5,;,-6.54,;1.33,-4.23,;1.33,-2.69,)|
Show InChI InChI=1/C37H48ClN3O3/c1-7-25(3)44-35-23-33-28(21-34(35)43-6)22-36(42)41(37(33)27-11-13-29(38)14-12-27)32-19-17-31(18-20-32)40(5)24-26-9-15-30(16-10-26)39(4)8-2/h11-14,17-21,23,25-26,30,37H,7-10,15-16,22,24H2,1-6H3/t25-,26-,30-,37?/s2
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n/an/a 2.30n/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))
BDBM162052
PNG
(US9051279, 75)
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(C)C |r,wU:36.43,wD:9.9,33.36,(6,5,;6,3.46,;4.67,2.69,;3.33,3.46,;2,2.69,;.67,3.46,;-.67,2.69,;-2,3.46,;-.67,1.15,;.67,.38,;.67,-1.16,;-.67,-1.93,;-.67,-3.47,;.67,-4.24,;.67,-5.77,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;4.67,1.15,;6,.38,;7.34,1.15,;8.67,.38,;7.34,2.69,;-2,.38,;-2,-1.16,;-3.33,-1.93,;-4.67,-1.16,;-4.67,.38,;-3.33,1.15,;-6,-1.93,;-6,-3.47,;-7.34,-1.16,;-7.34,.38,;-6,1.15,;-6,2.69,;-7.34,3.46,;-8.67,2.69,;-8.67,1.15,;-7.34,5,;-8.67,5.77,;-6,5.77,)|
Show InChI InChI=1/C35H44ClN3O3/c1-23(2)42-33-21-31-26(19-32(33)41-6)20-34(40)39(35(31)25-9-11-27(36)12-10-25)30-17-15-29(16-18-30)38(5)22-24-7-13-28(14-8-24)37(3)4/h9-12,15-19,21,23-24,28,35H,7-8,13-14,20,22H2,1-6H3/t24-,28-,35-/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))
BDBM162061
PNG
(US9051279, 76)
Show SMILES CCN(C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(cc1)N1[C@@H](c2ccc(Cl)cc2)c2cc(OC(C)C)c(OC)cc2CC1=O |r,wU:7.10,wD:20.22,4.3,(-7.34,-4.24,;-6,-3.47,;-6,-1.93,;-7.34,-1.16,;-7.34,.38,;-6,1.15,;-6,2.69,;-7.34,3.46,;-8.67,2.69,;-8.67,1.15,;-7.34,5,;-8.67,5.77,;-6,5.77,;-4.67,-1.16,;-3.33,-1.93,;-2,-1.16,;-2,.38,;-3.33,1.15,;-4.67,.38,;-.67,1.15,;.67,.38,;.67,-1.16,;-.67,-1.93,;-.67,-3.47,;.67,-4.24,;.67,-5.77,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;4.67,1.15,;6,.38,;7.34,1.15,;8.67,.38,;7.34,2.69,;4.67,2.69,;6,3.46,;6,5,;3.33,3.46,;2,2.69,;.67,3.46,;-.67,2.69,;-2,3.46,)|
Show InChI InChI=1/C36H46ClN3O3/c1-7-39(23-25-8-14-29(15-9-25)38(4)5)30-16-18-31(19-17-30)40-35(41)21-27-20-33(42-6)34(43-24(2)3)22-32(27)36(40)26-10-12-28(37)13-11-26/h10-13,16-20,22,24-25,29,36H,7-9,14-15,21,23H2,1-6H3/t25-,29-,36-/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))
BDBM162072
PNG
(US9051279, 80)
Show SMILES COC(=O)CN(C)[C@H]1CC[C@H](CN(C)c2ccc(cc2)N2[C@@H](c3ccc(Cl)cc3)c3cc(OC(C)C)c(OC)cc3CC2=O)CC1 |r,wU:7.6,wD:21.22,10.10,(-3.33,6.16,;-4.67,6.93,;-6,6.16,;-7.34,6.93,;-6,4.62,;-7.34,3.85,;-8.65,4.62,;-7.34,2.31,;-6,1.54,;-6,,;-7.34,-.77,;-7.34,-2.31,;-6,-3.08,;-6,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-2,-.77,;-2,-2.31,;-3.33,-3.08,;-.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,;4.67,1.54,;6,2.31,;6,3.85,;3.33,2.31,;2,1.54,;.67,2.31,;-.67,1.54,;-2,2.31,;-8.67,,;-8.67,1.54,)|
Show InChI InChI=1/C37H46ClN3O5/c1-24(2)46-34-21-32-27(19-33(34)44-5)20-35(42)41(37(32)26-9-11-28(38)12-10-26)31-17-15-30(16-18-31)39(3)22-25-7-13-29(14-8-25)40(4)23-36(43)45-6/h9-12,15-19,21,24-25,29,37H,7-8,13-14,20,22-23H2,1-6H3/t25-,29-,37-/s2
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n/an/a 2.90n/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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 2.90n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR1-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162073
PNG
(US9051279, 81)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCOCC1 |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,;-6,4.62,;-6,6.16,;-7.34,6.93,;-8.67,6.16,;-8.65,4.62,)|
Show InChI InChI=1/C37H46ClN3O4/c1-25(2)45-35-23-33-28(21-34(35)43-4)22-36(42)41(37(33)27-7-9-29(38)10-8-27)32-15-13-30(14-16-32)39(3)24-26-5-11-31(12-6-26)40-17-19-44-20-18-40/h7-10,13-16,21,23,25-26,31,37H,5-6,11-12,17-20,22,24H2,1-4H3/t26-,31-,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))
BDBM161876
PNG
(US9051279, 47)
Show SMILES CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)CC1CCNCC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C33H40ClN3O3/c1-5-22(2)40-31-20-29-25(18-30(31)39-4)19-32(38)37(33(29)24-6-8-26(34)9-7-24)28-12-10-27(11-13-28)36(3)21-23-14-16-35-17-15-23/h6-13,18,20,22-23,33,35H,5,14-17,19,21H2,1-4H3/t22-,33?/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))
BDBM162064
PNG
(US9051279, 77)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)NS(C)(=O)=O |r,wU:36.43,wD:9.9,33.36,(6.67,4.34,;6.67,2.8,;5.33,2.03,;4,2.8,;2.67,2.03,;1.33,2.8,;,2.03,;-1.33,2.8,;,.49,;1.33,-.28,;1.33,-1.82,;,-2.59,;,-4.13,;1.33,-4.9,;1.33,-6.44,;2.67,-4.13,;2.67,-2.59,;2.67,.49,;4,-.28,;5.33,.49,;6.67,-.28,;8,.49,;9.34,-.28,;8,2.03,;-1.33,-.28,;-1.33,-1.82,;-2.67,-2.59,;-4,-1.82,;-4,-.28,;-2.67,.49,;-5.33,-2.59,;-5.33,-4.13,;-6.67,-1.82,;-6.67,-.28,;-5.33,.49,;-5.33,2.03,;-6.67,2.8,;-8,2.03,;-8,.49,;-6.67,4.34,;-8,5.11,;-9.34,4.34,;-8.77,6.44,;-7.23,6.44,)|
Show InChI InChI=1/C34H42ClN3O5S/c1-22(2)43-32-20-30-25(18-31(32)42-4)19-33(39)38(34(30)24-8-10-26(35)11-9-24)29-16-14-28(15-17-29)37(3)21-23-6-12-27(13-7-23)36-44(5,40)41/h8-11,14-18,20,22-23,27,34,36H,6-7,12-13,19,21H2,1-5H3/t23-,27-,34-/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))
BDBM161880
PNG
(US9051279, 51)
Show SMILES CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@H](N)CC1)c1ccc(Cl)cc1 |r,wU:27.29,wD:2.2,30.33,(9.34,1.54,;8,.77,;6.67,1.54,;6.67,3.08,;5.33,.77,;4,1.54,;2.67,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,3.08,;-2.67,3.85,;,3.85,;1.33,3.08,;2.67,3.85,;4,3.08,;5.33,3.85,;5.33,5.39,;-2.67,.77,;-4,1.54,;-5.33,.77,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-6.67,-1.54,;-6.67,-3.08,;-8,-.77,;-8,.77,;-9.34,1.54,;-9.34,3.08,;-8,3.85,;-8,5.39,;-6.67,3.08,;-6.67,1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;,-3.85,;,-5.39,;1.33,-3.08,;1.33,-1.54,)|
Show InChI InChI=1/C34H42ClN3O3/c1-5-22(2)41-32-20-30-25(18-31(32)40-4)19-33(39)38(34(30)24-8-10-26(35)11-9-24)29-16-14-28(15-17-29)37(3)21-23-6-12-27(36)13-7-23/h8-11,14-18,20,22-23,27,34H,5-7,12-13,19,21,36H2,1-4H3/t22-,23-,27-,34?/s2
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n/an/a 3.70n/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))
BDBM162222
PNG
(US9051279, 205)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OCC1CCCO1)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:39.47,wD:9.9,36.40,(10.77,4.75,;9.44,5.52,;8.11,4.75,;6.77,5.52,;5.44,4.75,;4.1,5.52,;2.77,4.75,;1.44,5.52,;2.77,3.21,;4.1,2.44,;4.1,.9,;2.77,.13,;2.77,-1.41,;4.1,-2.18,;4.1,-3.72,;5.44,-1.41,;5.44,.13,;5.44,3.21,;6.77,2.44,;8.11,3.21,;9.44,2.44,;9.44,.9,;10.77,.13,;12.24,.61,;13.14,-.64,;12.24,-1.88,;10.77,-1.41,;1.44,2.44,;.1,3.21,;-1.23,2.44,;-1.23,.9,;.1,.13,;1.44,.9,;-2.56,.13,;-2.56,-1.41,;-3.9,.9,;-5.23,.13,;-6.57,.9,;-7.9,.13,;-7.9,-1.41,;-6.57,-2.18,;-5.23,-1.41,;-9.23,-2.18,;-9.23,-3.72,;-10.7,-4.19,;-11.47,-5.52,;-11.6,-2.95,;-13.14,-2.95,;-10.7,-1.7,)|
Show InChI InChI=1/C38H46ClN5O5/c1-41(21-25-6-12-29(13-7-25)43-22-37(46)42(2)24-43)35-15-14-30(20-40-35)44-36(45)18-27-17-33(47-3)34(49-23-31-5-4-16-48-31)19-32(27)38(44)26-8-10-28(39)11-9-26/h8-11,14-15,17,19-20,25,29,31,38H,4-7,12-13,16,18,21-24H2,1-3H3/t25-,29-,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))
BDBM162151
PNG
(US9051279, 134)
Show SMILES CCN1CN(CC1=O)[C@H]1CC[C@H](CN(C)c2ccc(cn2)N2[C@@H](c3ccc(Cl)cc3)c3cc(OC(C)C)c(OC)cc3CC2=O)CC1 |r,wU:8.8,wD:22.24,11.12,(-9.51,-6.19,;-10.28,-4.86,;-9.51,-3.52,;-8.05,-3.05,;-8.05,-1.51,;-9.51,-1.03,;-10.42,-2.28,;-11.96,-2.28,;-6.71,-.74,;-6.71,.8,;-5.38,1.57,;-4.05,.8,;-2.71,1.57,;-1.38,.8,;-1.38,-.74,;-.05,1.57,;1.29,.8,;2.62,1.57,;2.62,3.11,;1.29,3.88,;-.05,3.11,;3.96,3.88,;5.29,3.11,;5.29,1.57,;3.96,.8,;3.96,-.74,;5.29,-1.51,;5.29,-3.05,;6.62,-.74,;6.62,.8,;6.62,3.88,;7.96,3.11,;9.29,3.88,;10.62,3.11,;10.62,1.57,;11.96,.8,;9.29,.8,;9.29,5.42,;10.62,6.19,;11.96,5.42,;7.96,6.19,;6.62,5.42,;5.29,6.19,;3.96,5.42,;2.62,6.19,;-4.05,-.74,;-5.38,-1.51,)|
Show InChI InChI=1/C37H46ClN5O4/c1-6-41-23-42(22-36(41)45)29-13-7-25(8-14-29)21-40(4)34-16-15-30(20-39-34)43-35(44)18-27-17-32(46-5)33(47-24(2)3)19-31(27)37(43)26-9-11-28(38)12-10-26/h9-12,15-17,19-20,24-25,29,37H,6-8,13-14,18,21-23H2,1-5H3/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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162166
PNG
(US9051279, 149)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1cnc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(11.96,4.75,;10.62,5.52,;9.29,4.75,;7.96,5.52,;6.62,4.75,;5.29,5.52,;3.96,4.75,;2.62,5.52,;3.96,3.21,;5.29,2.44,;5.29,.9,;3.96,.13,;3.96,-1.41,;5.29,-2.18,;5.29,-3.72,;6.62,-1.41,;6.62,.13,;6.62,3.21,;7.96,2.44,;9.29,3.21,;10.62,2.44,;10.62,.9,;11.96,.13,;9.29,.13,;2.62,2.44,;2.62,.9,;1.29,.13,;-.05,.9,;-.05,2.44,;1.29,3.21,;-1.38,.13,;-1.38,-1.41,;-2.71,.9,;-4.05,.13,;-5.38,.9,;-6.71,.13,;-6.71,-1.41,;-5.38,-2.18,;-4.05,-1.41,;-8.05,-2.18,;-8.05,-3.72,;-9.51,-4.19,;-10.28,-5.52,;-10.42,-2.95,;-11.96,-2.95,;-9.51,-1.7,)|
Show InChI InChI=1/C35H43ClN6O4/c1-22(2)46-30-16-28-25(14-29(30)45-5)15-33(43)42(35(28)24-8-10-26(36)11-9-24)32-18-37-31(17-38-32)39(3)19-23-6-12-27(13-7-23)41-20-34(44)40(4)21-41/h8-11,14,16-18,22-23,27,35H,6-7,12-13,15,19-21H2,1-5H3/t23-,27-,35-/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))
BDBM162157
PNG
(US9051279, 140)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1cnc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(12,4.23,;10.67,5,;9.34,4.23,;8,5,;6.67,4.23,;5.33,5,;4,4.23,;2.67,5,;4,2.69,;5.33,1.93,;5.33,.38,;4,-.38,;4,-1.93,;5.33,-2.69,;5.33,-4.23,;6.67,-1.93,;6.67,-.38,;6.67,2.69,;8,1.93,;9.34,2.69,;10.67,1.93,;10.67,.38,;12,-.38,;9.34,-.38,;2.67,1.93,;2.67,.38,;1.33,-.38,;,.38,;,1.93,;1.33,2.69,;-1.33,-.38,;-1.33,-1.93,;-2.67,.38,;-4,-.38,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-8,-2.69,;-8,-4.23,;-9.34,-5,;-10.67,-4.23,;-12,-5,;-10.67,-2.69,;-12,-1.93,;-9.34,-1.93,)|
Show InChI InChI=1/C36H45ClN6O4/c1-23(2)47-31-18-29-26(16-30(31)46-5)17-34(44)43(36(29)25-8-10-27(37)11-9-25)33-20-38-32(19-39-33)41(4)21-24-6-12-28(13-7-24)42-15-14-40(3)35(45)22-42/h8-11,16,18-20,23-24,28,36H,6-7,12-15,17,21-22H2,1-5H3/t24-,28-,36-/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 1


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 4.60n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of wild type FGFR1 expressed in HEK293 cells assessed as inhibition of autophosphorylation of tyrosine residue after 40 mins by ELISA assa...


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM161874
PNG
(US9051279, 45)
Show SMILES CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)CC1CCCNC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C33H40ClN3O3/c1-5-22(2)40-31-19-29-25(17-30(31)39-4)18-32(38)37(33(29)24-8-10-26(34)11-9-24)28-14-12-27(13-15-28)36(3)21-23-7-6-16-35-20-23/h8-15,17,19,22-23,33,35H,5-7,16,18,20-21H2,1-4H3/t22-,23?,33?/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))
BDBM162140
PNG
(US9051279, 123)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cn1)N(C)CC1CC[C@@H](CC1)N1CCNC(=O)C1 |r,wU:36.43,wD:9.9,(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,;-2,-2.31,;-3.33,-3.08,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-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/C36H44ClN5O4/c1-23(2)46-32-19-30-26(17-31(32)45-4)18-35(44)42(36(30)25-7-9-27(37)10-8-25)33-14-13-29(20-39-33)40(3)21-24-5-11-28(12-6-24)41-16-15-38-34(43)22-41/h7-10,13-14,17,19-20,23-24,28,36H,5-6,11-12,15-16,18,21-22H2,1-4H3,(H,38,43)/t24?,28-,36-/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 2


(Homo sapiens (Human))
BDBM50355393
PNG
(CHEMBL1834657 | US9434697, BGJ398 | US9730931, BGJ...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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n/an/a 4.90n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of wild type FGFR2 expressed in HEK293 cells assessed as inhibition of autophosphorylation of tyrosine residue after 40 mins by ELISA assa...


J Med Chem 54: 7066-83 (2011)


Article DOI: 10.1021/jm2006222
BindingDB Entry DOI: 10.7270/Q22N52N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162068
PNG
(US9051279, 78)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)NC(=O)c1cocn1 |r,wU:36.43,wD:9.9,33.36,(7.84,4.23,;7.84,2.69,;6.51,1.92,;5.18,2.69,;3.84,1.92,;2.51,2.69,;1.18,1.92,;-.16,2.69,;1.18,.38,;2.51,-.38,;2.51,-1.92,;1.18,-2.69,;1.18,-4.23,;2.51,-5.01,;2.51,-6.54,;3.84,-4.23,;3.84,-2.69,;3.84,.38,;5.18,-.38,;6.51,.38,;7.84,-.38,;9.18,.38,;10.51,-.38,;9.18,1.92,;-.16,-.38,;-1.49,.38,;-2.82,-.38,;-2.82,-1.92,;-1.49,-2.69,;-.16,-1.92,;-4.16,-2.69,;-4.16,-4.23,;-5.49,-1.92,;-5.49,-.38,;-4.16,.38,;-4.16,1.92,;-5.49,2.69,;-6.83,1.92,;-6.83,.38,;-5.49,4.23,;-6.81,5.01,;-6.8,6.54,;-8.14,4.23,;-8.14,2.69,;-9.61,2.22,;-10.51,3.47,;-9.61,4.71,)|
Show InChI InChI=1/C37H41ClN4O5/c1-23(2)47-34-19-31-26(17-33(34)45-4)18-35(43)42(36(31)25-7-9-27(38)10-8-25)30-15-13-29(14-16-30)41(3)20-24-5-11-28(12-6-24)40-37(44)32-21-46-22-39-32/h7-10,13-17,19,21-24,28,36H,5-6,11-12,18,20H2,1-4H3,(H,40,44)/t24-,28-,36-/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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50123580
PNG
(CHEMBL3622208)
Show SMILES [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1nc(cc2ncsc12)-c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1/C20H21N3O4S/c1-11(13-7-18(24)21-9-13)27-20-19-15(22-10-28-19)8-14(23-20)12-4-5-16(25-2)17(6-12)26-3/h4-6,8,10-11,13H,7,9H2,1-3H3,(H,21,24)/t11-,13-/s2
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay


Bioorg Med Chem Lett 25: 4642-7 (2015)


BindingDB Entry DOI: 10.7270/Q2XD13HG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162141
PNG
(US9051279, 124)
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(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6.1,3.54,;6.1,2,;4.77,1.23,;3.44,2,;2.1,1.23,;.77,2,;-.56,1.23,;-1.9,2,;-.56,-.31,;.77,-1.08,;.77,-2.62,;-.56,-3.39,;-.56,-4.93,;.77,-5.7,;.77,-7.24,;2.1,-4.93,;2.1,-3.39,;2.1,-.31,;3.44,-1.08,;4.77,-.31,;6.1,-1.08,;7.44,-.31,;8.77,-1.08,;7.44,1.23,;-1.9,-1.08,;-1.9,-2.62,;-3.23,-3.39,;-4.56,-2.62,;-4.56,-1.08,;-3.23,-.31,;-5.9,-3.39,;-5.9,-4.93,;-7.23,-2.62,;-7.23,-1.08,;-5.9,-.31,;-5.9,1.23,;-7.23,2,;-8.57,1.23,;-8.57,-.31,;-7.23,3.54,;-8.48,4.44,;-8,5.91,;-8.77,7.24,;-6.46,5.91,;-5.69,7.24,;-5.99,4.44,)|
Show InChI InChI=1/C36H44ClN5O4/c1-23(2)46-32-18-30-26(16-31(32)45-5)17-34(43)42(36(30)25-8-10-27(37)11-9-25)33-15-14-29(19-38-33)39(3)20-24-6-12-28(13-7-24)41-21-35(44)40(4)22-41/h8-11,14-16,18-19,23-24,28,36H,6-7,12-13,17,20-22H2,1-5H3/t24-,28-,36-/s2
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n/an/a 5.70n/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))
BDBM161882
PNG
(US9051279, 52)
Show SMILES CCN[C@H]1CC[C@H](CN(C)c2ccc(cc2)N2C(c3ccc(Cl)cc3)c3cc(O[C@H](C)CC)c(OC)cc3CC2=O)CC1 |r,wU:6.6,wD:29.31,3.2,(-6.67,6.54,;-6.67,5,;-8,4.23,;-8,2.69,;-9.34,1.92,;-9.34,.38,;-8,-.39,;-8,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-1.93,;-5.33,-.39,;-4,.38,;-2.67,-.39,;-2.67,-1.93,;-4,-2.7,;-1.33,.38,;,-.38,;,-1.92,;-1.33,-2.7,;-1.33,-4.24,;,-5,;,-6.54,;1.33,-4.24,;1.33,-2.7,;1.33,.38,;2.67,-.38,;4,.38,;5.33,-.39,;6.67,.38,;6.67,1.92,;8,-.39,;9.34,.38,;4,1.92,;5.33,2.7,;5.33,4.24,;2.67,2.69,;1.33,1.92,;,2.69,;-1.33,1.92,;-2.67,2.7,;-6.67,.38,;-6.67,1.92,)|
Show InChI InChI=1/C36H46ClN3O3/c1-6-24(3)43-34-22-32-27(20-33(34)42-5)21-35(41)40(36(32)26-10-12-28(37)13-11-26)31-18-16-30(17-19-31)39(4)23-25-8-14-29(15-9-25)38-7-2/h10-13,16-20,22,24-25,29,36,38H,6-9,14-15,21,23H2,1-5H3/t24-,25-,29-,36?/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))
BDBM161877
PNG
(US9051279, 48)
Show SMILES CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)CC1CCN(CC1)C(C)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C35H42ClN3O4/c1-6-23(2)43-33-21-31-27(19-32(33)42-5)20-34(41)39(35(31)26-7-9-28(36)10-8-26)30-13-11-29(12-14-30)37(4)22-25-15-17-38(18-16-25)24(3)40/h7-14,19,21,23,25,35H,6,15-18,20,22H2,1-5H3/t23-,35?/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))
BDBM162074
PNG
(US9051279, 82)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CC(=O)NCC1=O |r,wU:36.43,wD:9.9,33.36,(6.67,3.85,;6.67,2.31,;5.34,1.54,;4,2.31,;2.67,1.54,;1.34,2.31,;0,1.54,;-1.33,2.31,;0,,;1.34,-.77,;1.34,-2.31,;0,-3.08,;0,-4.62,;1.34,-5.39,;1.34,-6.93,;2.67,-4.62,;2.67,-3.08,;2.67,,;4,-.77,;5.34,,;6.67,-.77,;8,,;9.34,-.77,;8,1.54,;-1.33,-.77,;-2.67,,;-4,-.77,;-4,-2.31,;-2.67,-3.08,;-1.33,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-2.31,;-6.67,-.77,;-5.33,,;-5.33,1.54,;-6.67,2.31,;-8,1.54,;-8,,;-6.67,3.85,;-7.98,4.62,;-8,6.16,;-9.34,6.92,;-6.67,6.93,;-5.33,6.16,;-5.33,4.62,;-4,3.85,)|
Show InChI InChI=1/C37H43ClN4O5/c1-23(2)47-33-19-31-26(17-32(33)46-4)18-35(44)42(37(31)25-7-9-27(38)10-8-25)30-15-13-28(14-16-30)40(3)21-24-5-11-29(12-6-24)41-22-34(43)39-20-36(41)45/h7-10,13-17,19,23-24,29,37H,5-6,11-12,18,20-22H2,1-4H3,(H,39,43)/t24-,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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162142
PNG
(US9051279, 125)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6,3.08,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;.67,1.54,;-.67,.77,;-2,1.54,;-.67,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-.67,-5.39,;.67,-6.16,;.67,-7.7,;2,-5.39,;2,-3.85,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;-2,-1.54,;-2,-3.08,;-3.33,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-3.33,-.77,;-6,-3.85,;-6,-5.39,;-7.34,-3.08,;-7.34,-1.54,;-6,-.77,;-6,.77,;-7.34,1.54,;-8.67,.77,;-8.67,-.77,;-7.34,3.08,;-8.67,3.85,;-8.67,5.39,;-7.34,6.16,;-7.34,7.7,;-6,5.39,;-4.67,6.16,;-6,3.85,)|
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)34-15-14-30(21-39-34)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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162195
PNG
(US9051279, 178)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)[C@H](C)N1CCNCC1=O |r|
Show InChI InChI=1/C31H34ClN3O4/c1-19(2)39-28-17-26-23(15-27(28)38-4)16-29(36)35(31(26)22-5-9-24(32)10-6-22)25-11-7-21(8-12-25)20(3)34-14-13-33-18-30(34)37/h5-12,15,17,19-20,31,33H,13-14,16,18H2,1-4H3/t20-,31-/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))
BDBM162139
PNG
(US9051279, 122)
Show SMILES CNC(=O)CN[C@H]1CC[C@H](CN(C)c2ccc(nc2)N2[C@@H](c3ccc(Cl)cc3)c3cc(OC(C)C)c(OC)cc3CC2=O)CC1 |r,wU:6.5,wD:20.21,9.9,(-3.33,2.69,;-4.67,3.47,;-4.67,5,;-3.33,5.78,;-6,5.78,;-7.34,5,;-7.34,3.47,;-6,2.69,;-6,1.15,;-7.34,.38,;-7.34,-1.15,;-6,-1.93,;-6,-3.47,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-.67,1.15,;.67,.38,;.67,-1.15,;-.67,-1.93,;-.67,-3.47,;.67,-4.23,;.67,-5.78,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;4.67,1.15,;6,.38,;7.34,1.15,;8.67,.38,;7.34,2.69,;4.67,2.69,;6,3.47,;6,5,;3.33,3.47,;2,2.69,;.67,3.47,;-.67,2.69,;-2,3.47,;-8.67,1.15,;-8.67,2.69,)|
Show InChI InChI=1/C35H44ClN5O4/c1-22(2)45-31-18-29-25(16-30(31)44-5)17-34(43)41(35(29)24-8-10-26(36)11-9-24)32-15-14-28(19-39-32)40(4)21-23-6-12-27(13-7-23)38-20-33(42)37-3/h8-11,14-16,18-19,22-23,27,35,38H,6-7,12-13,17,20-21H2,1-5H3,(H,37,42)/t23-,27-,35-/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))
BDBM161864
PNG
(US9051279, 42)
Show SMILES CC[C@@H](C)Oc1cc2C(N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)Cc1ccncc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C33H34ClN3O3/c1-5-22(2)40-31-20-29-25(18-30(31)39-4)19-32(38)37(33(29)24-6-8-26(34)9-7-24)28-12-10-27(11-13-28)36(3)21-23-14-16-35-17-15-23/h6-18,20,22,33H,5,19,21H2,1-4H3/t22-,33?/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
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