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Compile Data Set for Download or QSAR

Found 1650 hits with Last Name = 'mcintosh' 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
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001695
PNG
(CHEMBL3238085)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CC)NC2=O)C(O)=O |r|
Show InChI InChI=1S/C59H81N15O16S4/c1-4-11-37-50(80)67-39(21-32-15-17-34(76)18-16-32)52(82)73-45(59(89)90)29-94-93-28-44-56(86)70-41(25-75)53(83)69-40(22-33-24-61-30-62-33)58(88)74-19-10-14-46(74)57(87)65-36(6-3)49(79)71-43(27-92-91-26-42(54(84)72-44)63-47(77)23-60)55(85)68-38(20-31-12-8-7-9-13-31)51(81)64-35(5-2)48(78)66-37/h7-9,12-13,15-18,24,30,35-46,75-76H,4-6,10-11,14,19-23,25-29,60H2,1-3H3,(H,61,62)(H,63,77)(H,64,81)(H,65,87)(H,66,78)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,79)(H,72,84)(H,73,82)(H,89,90)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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270n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001698
PNG
(CHEMBL3238083)
Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)C(O)=O |r|
Show InChI InChI=1S/C60H81N15O16S4/c1-3-10-37-50(80)67-39(22-33-15-17-35(77)18-16-33)52(82)73-45(60(90)91)30-95-94-28-43-56(86)70-41(26-76)53(83)69-40(23-34-25-62-31-63-34)58(88)75-20-9-14-47(75)59(89)74-19-8-13-46(74)57(87)72-44(29-93-92-27-42(54(84)71-43)64-48(78)24-61)55(85)68-38(21-32-11-6-5-7-12-32)51(81)65-36(4-2)49(79)66-37/h5-7,11-12,15-18,25,31,36-47,76-77H,3-4,8-10,13-14,19-24,26-30,61H2,1-2H3,(H,62,63)(H,64,78)(H,65,81)(H,66,79)(H,67,80)(H,68,85)(H,69,83)(H,70,86)(H,71,84)(H,72,87)(H,73,82)(H,90,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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794n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001696
PNG
(CHEMBL3238023)
Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)C(C)C)C(O)=O)[C@H](C)O |r|
Show InChI InChI=1S/C54H81N13O17S4/c1-25(2)17-31-44(73)58-32(18-29-11-13-30(70)14-12-29)45(74)63-37(54(83)84)24-88-87-23-36-49(78)60-33(20-68)46(75)65-42(28(6)69)53(82)67-16-8-10-39(67)52(81)66-15-7-9-38(66)50(79)62-35(22-86-85-21-34(48(77)61-36)57-40(71)19-55)47(76)56-27(5)43(72)64-41(26(3)4)51(80)59-31/h11-14,25-28,31-39,41-42,68-70H,7-10,15-24,55H2,1-6H3,(H,56,76)(H,57,71)(H,58,73)(H,59,80)(H,60,78)(H,61,77)(H,62,79)(H,63,74)(H,64,72)(H,65,75)(H,83,84)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1
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851n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001701
PNG
(CHEMBL3238086)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CC)NC2=O)C(O)=O |r|
Show InChI InChI=1S/C59H85N13O16S4/c1-5-9-17-38-58(86)72-23-13-18-46(72)57(85)63-36(8-4)49(77)69-43-29-90-89-28-42(61-47(75)26-60)54(82)70-44(56(84)68-41(27-73)53(81)65-38)30-91-92-31-45(59(87)88)71-52(80)40(25-33-19-21-34(74)22-20-33)66-50(78)37(14-6-2)64-48(76)35(7-3)62-51(79)39(67-55(43)83)24-32-15-11-10-12-16-32/h10-12,15-16,19-22,35-46,73-74H,5-9,13-14,17-18,23-31,60H2,1-4H3,(H,61,75)(H,62,79)(H,63,85)(H,64,76)(H,65,81)(H,66,78)(H,67,83)(H,68,84)(H,69,77)(H,70,82)(H,71,80)(H,87,88)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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980n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001702
PNG
(CHEMBL3238084)
Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC)NC(=O)[C@H](CC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC2=O)C(O)=O |r|
Show InChI InChI=1S/C60H85N13O16S4/c1-4-7-16-38-58(86)73-24-12-18-47(73)59(87)72-23-11-17-46(72)57(85)70-44-31-91-90-29-42(62-48(76)27-61)54(82)69-43(56(84)68-41(28-74)53(81)65-38)30-92-93-32-45(60(88)89)71-52(80)40(26-34-19-21-35(75)22-20-34)66-50(78)37(13-5-2)64-49(77)36(6-3)63-51(79)39(67-55(44)83)25-33-14-9-8-10-15-33/h8-10,14-15,19-22,36-47,74-75H,4-7,11-13,16-18,23-32,61H2,1-3H3,(H,62,76)(H,63,79)(H,64,77)(H,65,81)(H,66,78)(H,67,83)(H,68,84)(H,69,82)(H,70,85)(H,71,80)(H,88,89)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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1.11E+3n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis


J Med Chem 57: 3511-21 (2014)


Article DOI: 10.1021/jm500183r
BindingDB Entry DOI: 10.7270/Q2ZC84CQ
More data for this
Ligand-Target Pair
ITGAV/ITGB1


(Homo sapiens (Human))
BDBM50199337
PNG
(CHEMBL3962660 | US10131658, Compound 6)
Show SMILES NC(=N)NCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
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n/an/a 0.0200n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
ITGAV/ITGB1


(Homo sapiens (Human))
BDBM50199337
PNG
(CHEMBL3962660 | US10131658, Compound 6)
Show SMILES NC(=N)NCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
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n/an/a 0.0200n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
ITGAV/ITGB1


(Homo sapiens (Human))
BDBM50199345
PNG
(CHEMBL3893700 | US10131658, Compound 201)
Show SMILES NC(=N)Nc1cccc(c1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
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n/an/a 0.0600n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
ITGAV/ITGB1


(Homo sapiens (Human))
BDBM50199345
PNG
(CHEMBL3893700 | US10131658, Compound 201)
Show SMILES NC(=N)Nc1cccc(c1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
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n/an/a 0.0631n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incub...


ACS Med Chem Lett 7: 902-907 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00196
BindingDB Entry DOI: 10.7270/Q2XP76X4
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(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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US Patent
n/an/a 0.100n/an/an/an/an/an/a



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))
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
PDB
MMDB

NCI pathway
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KEGG

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n/an/a 0.100n/an/an/an/an/an/a



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))
BDBM50448958
PNG
(CHEMBL3125698)
Show SMILES CC(C)S(=O)(=O)C[C@H](C1CCC1)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/c1-18(2)38(36,37)17-25(19-6-4-7-19)32-27(20-10-12-22(30)13-11-20)24(21-8-5-9-23(31)14-21)15-29(3,28(32)35)16-26(33)34/h5,8-14,18-19,24-25,27H,4,6-7,15-17H2,1-3H3,(H,33,34)/t24-,25-,27-,29-/m1/s1
PDB
MMDB

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KEGG

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n/an/a 0.100n/an/an/an/an/an/a



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))
BDBM50448962
PNG
(CHEMBL3125538)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CCC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H37Cl2NO5S/c1-29(2,3)39(37,38)18-25(19-7-5-8-19)33-27(20-11-13-22(31)14-12-20)24(21-9-6-10-23(32)15-21)16-30(4,28(33)36)17-26(34)35/h6,9-15,19,24-25,27H,5,7-8,16-18H2,1-4H3,(H,34,35)/t24-,25-,27-,30-/m1/s1
PDB
MMDB

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n/an/a 0.100n/an/an/an/an/an/a



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))
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
PDB
MMDB

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KEGG

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n/an/a 0.100n/an/an/an/an/an/a



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))
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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US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(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




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))
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




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))
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




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))
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




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))
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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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)
E3 ubiquitin-protein ligase Mdm2


(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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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))
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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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))
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




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))
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




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))
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




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))
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.

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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))
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.

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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))
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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Amgen, Inc.

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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))
BDBM215390
PNG
(US9296736, 371 | US9593129, Example 371)
Show SMILES CC[C@@H]([C@H](C)S(=O)(=O)CC)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C27H33Cl2NO5S/c1-5-23(17(3)36(34,35)6-2)30-25(18-10-12-20(28)13-11-18)22(19-8-7-9-21(29)14-19)15-27(4,26(30)33)16-24(31)32/h7-14,17,22-23,25H,5-6,15-16H2,1-4H3,(H,31,32)/t17-,22+,23-,25+,27+/s2
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Amgen, Inc.

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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))
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.

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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))
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.

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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))
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




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
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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MMDB

KEGG

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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
PDB
MMDB

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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))
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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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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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))
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
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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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))
BDBM215390
PNG
(US9296736, 371 | US9593129, Example 371)
Show SMILES CC[C@@H]([C@H](C)S(=O)(=O)CC)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C27H33Cl2NO5S/c1-5-23(17(3)36(34,35)6-2)30-25(18-10-12-20(28)13-11-18)22(19-8-7-9-21(29)14-19)15-27(4,26(30)33)16-24(31)32/h7-14,17,22-23,25H,5-6,15-16H2,1-4H3,(H,31,32)/t17-,22+,23-,25+,27+/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))
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
PDB
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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))
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))
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
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