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Compile Data Set for Download or QSAR

Found 2315 hits with Last Name = 'fisher' and Initial = 'b'   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144508
PNG
(4-Methyl-1-(5-phenyl-pentyl)-piperidine | CHEMBL30...)
Show SMILES CC1CCN(CCCCCc2ccccc2)CC1
Show InChI InChI=1S/C17H27N/c1-16-11-14-18(15-12-16)13-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3
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0.0700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144518
PNG
(1-(5,5-Diphenyl-pentyl)-4-methyl-piperidine | CHEM...)
Show SMILES CC1CCN(CCCCC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C23H31N/c1-20-15-18-24(19-16-20)17-9-8-14-23(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,20,23H,8-9,14-19H2,1H3
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0.0900n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144512
PNG
(1-(5,5-Diphenyl-pent-4-enyl)-4-methyl-piperidine |...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-[#6]-1
Show InChI InChI=1S/C23H29N/c1-20-15-18-24(19-16-20)17-9-8-14-23(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-14,20H,8-9,15-19H2,1H3
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0.130n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041259
PNG
(CHEMBL19355 | Phenethyl-(5-phenyl-pentyl)-amine)
Show SMILES C(CCNCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C19H25N/c1-4-10-18(11-5-1)12-8-3-9-16-20-17-15-19-13-6-2-7-14-19/h1-2,4-7,10-11,13-14,20H,3,8-9,12,15-17H2
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0.170n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041246
PNG
(CHEMBL19544 | Methyl-phenethyl-(5-phenyl-pentyl)-a...)
Show SMILES CN(CCCCCc1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C20H27N/c1-21(18-16-20-14-7-3-8-15-20)17-10-4-9-13-19-11-5-2-6-12-19/h2-3,5-8,11-12,14-15H,4,9-10,13,16-18H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144511
PNG
((5,5-Diphenyl-pentyl)-methyl-phenethyl-amine | CHE...)
Show SMILES CN(CCCCC(c1ccccc1)c1ccccc1)CCc1ccccc1
Show InChI InChI=1S/C26H31N/c1-27(22-20-23-13-5-2-6-14-23)21-12-11-19-26(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-10,13-18,26H,11-12,19-22H2,1H3
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0.480n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144513
PNG
((5,5-Diphenyl-pentyl)-phenethyl-amine | CHEMBL3032...)
Show SMILES C(CCC(c1ccccc1)c1ccccc1)CNCCc1ccccc1
Show InChI InChI=1S/C25H29N/c1-4-12-22(13-5-1)19-21-26-20-11-10-18-25(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,25-26H,10-11,18-21H2
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0.660n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144509
PNG
(4-Methyl-1-{3-[8aH-10lambda*4*-thioxanthen-(9E)-yl...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-2/c3ccccc3-[#16]-c3ccccc-23)-[#6]-[#6]-1
Show InChI InChI=1S/C22H25NS/c1-17-12-15-23(16-13-17)14-6-9-18-19-7-2-4-10-21(19)24-22-11-5-3-8-20(18)22/h2-5,7-11,17H,6,12-16H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144507
PNG
((5,5-Diphenyl-pent-4-enyl)-methyl-phenethyl-amine ...)
Show SMILES [#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6]-[#6]-c1ccccc1
Show InChI InChI=1S/C26H29N/c1-27(22-20-23-13-5-2-6-14-23)21-12-11-19-26(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-10,13-19H,11-12,20-22H2,1H3
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0.890n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144515
PNG
(1-(4,4-Diphenyl-butyl)-4-methyl-piperidine | CHEMB...)
Show SMILES CC1CCN(CCCC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C22H29N/c1-19-14-17-23(18-15-19)16-8-13-22(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,19,22H,8,13-18H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144514
PNG
((5,5-Diphenyl-pent-4-enyl)-phenethyl-amine | CHEMB...)
Show SMILES [#6](-[#6]-[#7]-[#6]-[#6]-c1ccccc1)-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H27N/c1-4-12-22(13-5-1)19-21-26-20-11-10-18-25(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-18,26H,10-11,19-21H2
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144503
PNG
((5,5-Diphenyl-pentyl)-diethyl-amine | CHEMBL305461)
Show SMILES CCN(CC)CCCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H29N/c1-3-22(4-2)18-12-11-17-21(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,21H,3-4,11-12,17-18H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144517
PNG
(1-(4,4-Diphenyl-but-3-enyl)-4-methyl-piperidine | ...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)-[#6]-[#6]-1
Show InChI InChI=1S/C22H27N/c1-19-14-17-23(18-15-19)16-8-13-22(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-13,19H,8,14-18H2,1H3
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1.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144505
PNG
(5-Diethylamino-1,1-diphenyl-pentan-1-ol | CHEMBL71...)
Show SMILES CCN(CC)CCCCC(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H29NO/c1-3-22(4-2)18-12-11-17-21(23,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,23H,3-4,11-12,17-18H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50017716
PNG
(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Show SMILES CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3
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17n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144510
PNG
(1-Methyl-4-(4-phenyl-butyl)-piperazine | CHEMBL716...)
Show SMILES CN1CCN(CCCCc2ccccc2)CC1
Show InChI InChI=1S/C15H24N2/c1-16-11-13-17(14-12-16)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3
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20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144506
PNG
(1-Methyl-4-((E)-4-phenyl-but-3-enyl)-piperazine | ...)
Show SMILES CN1CCN(CC\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C15H22N2/c1-16-11-13-17(14-12-16)10-6-5-9-15-7-3-2-4-8-15/h2-5,7-9H,6,10-14H2,1H3/b9-5+
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29n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144516
PNG
(1-Methyl-4-((Z)-4-phenyl-but-3-enyl)-piperazine | ...)
Show SMILES CN1CCN(CC\C=C/c2ccccc2)CC1
Show InChI InChI=1S/C15H22N2/c1-16-11-13-17(14-12-16)10-6-5-9-15-7-3-2-4-8-15/h2-5,7-9H,6,10-14H2,1H3/b9-5-
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29n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50144504
PNG
(Benactyzine | CHEMBL70352 | Hydroxy-diphenyl-aceti...)
Show SMILES CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215385
PNG
(US9296736, 366 | US9593129, Example 366)
Show SMILES CCC(CC)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C30H37Cl2NO5S/c1-4-24(5-2)39(37,38)18-26(19-9-10-19)33-28(20-11-13-22(31)14-12-20)25(21-7-6-8-23(32)15-21)16-30(3,29(33)36)17-27(34)35/h6-8,11-15,19,24-26,28H,4-5,9-10,16-18H2,1-3H3,(H,34,35)/t25-,26-,28-,30-/s2
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MMDB

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US Patent
n/an/a 0.100n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448945
PNG
(CHEMBL3125521 | US9296736, 381 | US9593129, Exampl...)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)N2CCCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C29H34Cl2N2O5S/c1-29(17-26(34)35)16-24(21-5-4-6-23(31)15-21)27(20-9-11-22(30)12-10-20)33(28(29)36)25(19-7-8-19)18-39(37,38)32-13-2-3-14-32/h4-6,9-12,15,19,24-25,27H,2-3,7-8,13-14,16-18H2,1H3,(H,34,35)/t24-,25-,27-,29-/m1/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MDM2 and p53


(Homo sapiens (Human))
BDBM215394
PNG
(US9296736, 375 | US9593129, Example 375)
Show SMILES CC(C)(C)NS(=O)(=O)C[C@H](C1CC1)N1C([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C29H36Cl2N2O5S/c1-28(2,3)32-39(37,38)17-24(18-8-9-18)33-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(33)36)16-25(34)35/h5-7,10-14,18,23-24,26,32H,8-9,15-17H2,1-4H3,(H,34,35)/t23-,24-,26?,29-/s2
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50053040
PNG
(CHEMBL3318760 | US9296736, 378 | US9593129, Exampl...)
Show SMILES CC(C)NS(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C28H34Cl2N2O5S/c1-17(2)31-38(36,37)16-24(18-7-8-18)32-26(19-9-11-21(29)12-10-19)23(20-5-4-6-22(30)13-20)14-28(3,27(32)35)15-25(33)34/h4-6,9-13,17-18,23-24,26,31H,7-8,14-16H2,1-3H3,(H,33,34)/t23-,24-,26-,28-/s2
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50053052
PNG
(CHEMBL3318767 | US9296736, 379 | US9593129, Exampl...)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)N2CCOCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1/C29H34Cl2N2O6S/c1-29(17-26(34)35)16-24(21-3-2-4-23(31)15-21)27(20-7-9-22(30)10-8-20)33(28(29)36)25(19-5-6-19)18-40(37,38)32-11-13-39-14-12-32/h2-4,7-10,15,19,24-25,27H,5-6,11-14,16-18H2,1H3,(H,34,35)/t24-,25-,27-,29-/s2
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215307
PNG
(US9296736, 268 | US9593129, Example 268)
Show SMILES CCS(=O)(=O)N(C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(F)F
Show InChI InChI=1S/C28H32Cl2F2N2O5S/c1-3-40(38,39)33(27(31)32)16-23(17-7-8-17)34-25(18-9-11-20(29)12-10-18)22(19-5-4-6-21(30)13-19)14-28(2,26(34)37)15-24(35)36/h4-6,9-13,17,22-23,25,27H,3,7-8,14-16H2,1-2H3,(H,35,36)/t22-,23-,25-,28-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215308
PNG
(US9296736, 269 | US9593129, Example 269)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CN(C(F)F)S(=O)(=O)C2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H32Cl2F2N2O5S/c1-29(15-25(36)37)14-23(19-3-2-4-21(31)13-19)26(18-7-9-20(30)10-8-18)35(27(29)38)24(17-5-6-17)16-34(28(32)33)41(39,40)22-11-12-22/h2-4,7-10,13,17,22-24,26,28H,5-6,11-12,14-16H2,1H3,(H,36,37)/t23-,24-,26-,29-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215310
PNG
(US9296736, 272)
Show SMILES CCS(=O)(=O)N(C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccccc1F |r|
Show InChI InChI=1/C33H35Cl2FN2O5S/c1-3-44(42,43)37(28-10-5-4-9-27(28)36)20-29(21-11-12-21)38-31(22-13-15-24(34)16-14-22)26(23-7-6-8-25(35)17-23)18-33(2,32(38)41)19-30(39)40/h4-10,13-17,21,26,29,31H,3,11-12,18-20H2,1-2H3,(H,39,40)/t26-,29-,31-,33-/s2
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215340
PNG
(US9296736, 308 | US9593129, Example 308)
Show SMILES CC[C@@H](CS(=O)(=O)CC1(C)COC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H35Cl2NO6S/c1-4-23(15-39(36,37)18-28(2)16-38-17-28)32-26(19-8-10-21(30)11-9-19)24(20-6-5-7-22(31)12-20)13-29(3,27(32)35)14-25(33)34/h5-12,23-24,26H,4,13-18H2,1-3H3,(H,33,34)/t23-,24+,26+,29+/m0/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215343
PNG
(US9296736, 311 | US9296736, 312 | US9593129, Examp...)
Show SMILES CC[C@@H](C)S(=O)(=O)C[C@H](CC)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H35Cl2NO5S/c1-5-18(3)37(35,36)17-23(6-2)31-26(19-10-12-21(29)13-11-19)24(20-8-7-9-22(30)14-20)15-28(4,27(31)34)16-25(32)33/h7-14,18,23-24,26H,5-6,15-17H2,1-4H3,(H,32,33)/t18-,23+,24-,26-,28-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215346
PNG
(US9296736, 314 | US9593129, Example 314)
Show SMILES CC1(CS(=O)(=O)C[C@H](C2CC2)N2[C@@H]([C@H](C[C@](C)(CC(O)=O)C2=O)c2cccc(Cl)c2)c2ccc(Cl)cc2)COC1
Show InChI InChI=1S/C30H35Cl2NO6S/c1-29(16-39-17-29)18-40(37,38)15-25(19-6-7-19)33-27(20-8-10-22(31)11-9-20)24(21-4-3-5-23(32)12-21)13-30(2,28(33)36)14-26(34)35/h3-5,8-12,19,24-25,27H,6-7,13-18H2,1-2H3,(H,34,35)/t24-,25-,27-,30-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448966
PNG
(CHEMBL3125534)
Show SMILES C[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H33Cl2NO5S/c1-17(16-36(34,35)26(2,3)4)30-24(18-9-11-20(28)12-10-18)22(19-7-6-8-21(29)13-19)14-27(5,25(30)33)15-23(31)32/h6-13,17,22,24H,14-16H2,1-5H3,(H,31,32)/t17-,22+,24+,27+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448967
PNG
(CHEMBL3125533)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](CC(F)(F)F)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H32Cl2F3NO5S/c1-26(2,3)40(38,39)16-21(13-28(31,32)33)34-24(17-8-10-19(29)11-9-17)22(18-6-5-7-20(30)12-18)14-27(4,25(34)37)15-23(35)36/h5-12,21-22,24H,13-16H2,1-4H3,(H,35,36)/t21-,22+,24+,27+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50448945
PNG
(CHEMBL3125521 | US9296736, 381 | US9593129, Exampl...)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)N2CCCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C29H34Cl2N2O5S/c1-29(17-26(34)35)16-24(21-5-4-6-23(31)15-21)27(20-9-11-22(30)12-10-20)33(28(29)36)25(19-7-8-19)18-39(37,38)32-13-2-3-14-32/h4-6,9-12,15,19,24-25,27H,2-3,7-8,13-14,16-18H2,1H3,(H,34,35)/t24-,25-,27-,29-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MDM2 and p53


(Homo sapiens (Human))
BDBM215410
PNG
(US9296736, 398 | US9593129, Example 398)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H34Cl2FNO5S/c1-6-22(16-38(36,37)27(2,3)4)32-25(17-7-9-19(29)10-8-17)23(18-11-20(30)13-21(31)12-18)14-28(5,26(32)35)15-24(33)34/h7-13,22-23,25H,6,14-16H2,1-5H3,(H,33,34)/t22-,23+,25+,28+/m0/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215412
PNG
(US9296736, 399 | US9593129, Example 399)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H32Cl2FNO5S/c1-5-22(15-37(35,36)16(2)3)31-25(17-6-8-19(28)9-7-17)23(18-10-20(29)12-21(30)11-18)13-27(4,26(31)34)14-24(32)33/h6-12,16,22-23,25H,5,13-15H2,1-4H3,(H,32,33)/t22-,23+,25+,27+/m0/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215354
PNG
(US9296736, 322 | US9593129, Example 322)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)CC2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H33Cl2NO5S/c1-29(15-26(33)34)14-24(21-3-2-4-23(31)13-21)27(20-9-11-22(30)12-10-20)32(28(29)35)25(19-7-8-19)17-38(36,37)16-18-5-6-18/h2-4,9-13,18-19,24-25,27H,5-8,14-17H2,1H3,(H,33,34)/t24-,25-,27-,29-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215366
PNG
(US9296736, 334 | US9593129, Example 334)
Show SMILES CC[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C2CCCCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C32H39Cl2NO5S/c1-2-32(19-29(36)37)18-27(23-7-6-8-25(34)17-23)30(22-13-15-24(33)16-14-22)35(31(32)38)28(21-11-12-21)20-41(39,40)26-9-4-3-5-10-26/h6-8,13-17,21,26-28,30H,2-5,9-12,18-20H2,1H3,(H,36,37)/t27-,28-,30-,32-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50448936
PNG
(CHEMBL3125527 | US9296736, 342 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H35Cl2NO5S/c1-6-22(17-37(35,36)27(2,3)4)31-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(31)34)16-24(32)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33)/t22-,23+,25+,28+/m0/s1
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n/an/a 0.100n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MDM2 and p53


(Homo sapiens (Human))
BDBM215370
PNG
(US9296736, 346 | US9593129, Example 346)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](CC)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H37Cl2NO5S/c1-6-23(18-38(36,37)28(3,4)5)32-26(19-11-13-21(30)14-12-19)24(20-9-8-10-22(31)15-20)16-29(7-2,27(32)35)17-25(33)34/h8-15,23-24,26H,6-7,16-18H2,1-5H3,(H,33,34)/t23-,24+,26+,29+/m0/s1
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n/an/a 0.100n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215373
PNG
(US9296736, 349 | US9593129, Example 349)
Show SMILES CCS(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C27H31Cl2NO5S/c1-3-36(34,35)16-23(17-7-8-17)30-25(18-9-11-20(28)12-10-18)22(19-5-4-6-21(29)13-19)14-27(2,26(30)33)15-24(31)32/h4-6,9-13,17,22-23,25H,3,7-8,14-16H2,1-2H3,(H,31,32)/t22-,23-,25-,27-/s2
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n/an/a 0.100n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50448959
PNG
(CHEMBL3125697 | US9296736, 350 | US9593129, Exampl...)
Show SMILES CC(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H33Cl2NO5S/c1-17(2)37(35,36)16-24(18-7-8-18)31-26(19-9-11-21(29)12-10-19)23(20-5-4-6-22(30)13-20)14-28(3,27(31)34)15-25(32)33/h4-6,9-13,17-18,23-24,26H,7-8,14-16H2,1-3H3,(H,32,33)/t23-,24-,26-,28-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50448963
PNG
(CHEMBL3125537 | US9296736, 351 | US9593129, Exampl...)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H35Cl2NO5S/c1-28(2,3)38(36,37)17-24(18-8-9-18)32-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(32)35)16-25(33)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,33,34)/t23-,24-,26-,29-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215375
PNG
(US9296736, 353 | US9593129, Example 353)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C28H31Cl2NO5S/c1-28(15-25(32)33)14-23(19-3-2-4-21(30)13-19)26(18-7-9-20(29)10-8-18)31(27(28)34)24(17-5-6-17)16-37(35,36)22-11-12-22/h2-4,7-10,13,17,22-24,26H,5-6,11-12,14-16H2,1H3,(H,32,33)/t23-,24-,26-,28-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50448955
PNG
(CHEMBL3125701 | US9296736, 354 | US9593129, Exampl...)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(C)(=O)=O)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H29Cl2NO5S/c1-26(14-23(30)31)13-21(18-4-3-5-20(28)12-18)24(17-8-10-19(27)11-9-17)29(25(26)32)22(16-6-7-16)15-35(2,33)34/h3-5,8-12,16,21-22,24H,6-7,13-15H2,1-2H3,(H,30,31)/t21-,22-,24-,26-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215379
PNG
(US9296736, 358 | US9593129, Example 358)
Show SMILES CC[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)C)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H35Cl2NO5S/c1-4-29(16-26(33)34)15-24(21-6-5-7-23(31)14-21)27(20-10-12-22(30)13-11-20)32(28(29)35)25(19-8-9-19)17-38(36,37)18(2)3/h5-7,10-14,18-19,24-25,27H,4,8-9,15-17H2,1-3H3,(H,33,34)/t24-,25-,27-,29-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM215307
PNG
(US9296736, 268 | US9593129, Example 268)
Show SMILES CCS(=O)(=O)N(C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(F)F
Show InChI InChI=1S/C28H32Cl2F2N2O5S/c1-3-40(38,39)33(27(31)32)16-23(17-7-8-17)34-25(18-9-11-20(29)12-10-18)22(19-5-4-6-21(30)13-19)14-28(2,26(34)37)15-24(35)36/h4-6,9-13,17,22-23,25,27H,3,7-8,14-16H2,1-2H3,(H,35,36)/t22-,23-,25-,28-/m1/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM215308
PNG
(US9296736, 269 | US9593129, Example 269)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CN(C(F)F)S(=O)(=O)C2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H32Cl2F2N2O5S/c1-29(15-25(36)37)14-23(19-3-2-4-21(31)13-19)26(18-7-9-20(30)10-8-18)35(27(29)38)24(17-5-6-17)16-34(28(32)33)41(39,40)22-11-12-22/h2-4,7-10,13,17,22-24,26,28H,5-6,11-12,14-16H2,1H3,(H,36,37)/t23-,24-,26-,29-/m1/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM299594
PNG
(2-((3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl...)
Show SMILES CCS(=O)(=O)N(C[C@H](C1CC1)N1C([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccccc1F |r|
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM215340
PNG
(US9296736, 308 | US9593129, Example 308)
Show SMILES CC[C@@H](CS(=O)(=O)CC1(C)COC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H35Cl2NO6S/c1-4-23(15-39(36,37)18-28(2)16-38-17-28)32-26(19-8-10-21(30)11-9-19)24(20-6-5-7-22(31)12-20)13-29(3,27(32)35)14-25(33)34/h5-12,23-24,26H,4,13-18H2,1-3H3,(H,33,34)/t23-,24+,26+,29+/m0/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM215343
PNG
(US9296736, 311 | US9296736, 312 | US9593129, Examp...)
Show SMILES CC[C@@H](C)S(=O)(=O)C[C@H](CC)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H35Cl2NO5S/c1-5-18(3)37(35,36)17-23(6-2)31-26(19-10-12-21(29)13-11-19)24(20-8-7-9-22(30)14-20)15-28(4,27(31)34)16-25(32)33/h7-14,18,23-24,26H,5-6,15-17H2,1-4H3,(H,32,33)/t18-,23+,24-,26-,28-/m1/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
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