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PubChem AID 1394

Compile data set for download or QSAR
Found 167 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43342
PNG
(2-(5-Acetylamino-4,6-dioxo-1,4,5,6-tetrahydro-pyri...)
Show SMILES CC(NC(=O)CSc1nc(O)c(NC(C)=O)c(=O)[nH]1)c1ccccc1
Show InChI InChI=1S/C16H18N4O4S/c1-9(11-6-4-3-5-7-11)17-12(22)8-25-16-19-14(23)13(15(24)20-16)18-10(2)21/h3-7,9H,8H2,1-2H3,(H,17,22)(H,18,21)(H2,19,20,23,24)
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n/an/an/an/a 1.67E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43353
PNG
(6-(4-methoxyphenyl)-5-(piperidin-1-ylcarbonyl)-1-(...)
Show SMILES COc1ccc(cc1)C1C(CCC(=O)N1c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C27H34N2O6/c1-32-20-10-8-18(9-11-20)25-21(27(31)28-14-6-5-7-15-28)12-13-24(30)29(25)19-16-22(33-2)26(35-4)23(17-19)34-3/h8-11,16-17,21,25H,5-7,12-15H2,1-4H3
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n/an/an/an/a 4.71E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43354
PNG
(8,8-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-5-t...)
Show SMILES CC1(C)CC(=O)C2C(c3cccs3)c3c(N=C2C1)nc(SCCN1CCOCC1)[nH]c3=O
Show InChI InChI=1S/C23H28N4O3S2/c1-23(2)12-14-17(15(28)13-23)18(16-4-3-10-31-16)19-20(24-14)25-22(26-21(19)29)32-11-7-27-5-8-30-9-6-27/h3-4,10,17-18H,5-9,11-13H2,1-2H3,(H,25,26,29)
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n/an/an/an/a 4.77E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43367
PNG
((5,6-Dimethyl-benzoimidazol-1-yl)-(4-methyl-piperi...)
Show SMILES CC1CCN(CC1)C(=O)n1cnc2cc(C)c(C)cc12
Show InChI InChI=1S/C16H21N3O/c1-11-4-6-18(7-5-11)16(20)19-10-17-14-8-12(2)13(3)9-15(14)19/h8-11H,4-7H2,1-3H3
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n/an/an/an/a 1.29E+6n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43373
PNG
((5-Cyano-4-oxo-2-phenyl-3,4-dihydro-2H-[1,3]thiazi...)
Show SMILES COC(=O)CSC1=C(C#N)C(=O)NC(S1)c1ccccc1
Show InChI InChI=1S/C14H12N2O3S2/c1-19-11(17)8-20-14-10(7-15)12(18)16-13(21-14)9-5-3-2-4-6-9/h2-6,13H,8H2,1H3,(H,16,18)
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n/an/an/an/a 2.15E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43375
PNG
((2E)-2-(1-cyano-2,2,2-trifluoro-ethylidene)-5-phen...)
Show SMILES CCOC(=O)C1=C(O\C(S1)=C(\C#N)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C15H10F3NO3S/c1-2-21-13(20)12-11(9-6-4-3-5-7-9)22-14(23-12)10(8-19)15(16,17)18/h3-7H,2H2,1H3/b14-10+
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n/an/an/an/a 840n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43383
PNG
((Z)-3-(3,4-dimethoxyphenyl)-1-(2-ethylsulfanylbenz...)
Show SMILES CCSc1nc2ccccc2n1C(=O)\C=C/c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O3S/c1-4-26-20-21-15-7-5-6-8-16(15)22(20)19(23)12-10-14-9-11-17(24-2)18(13-14)25-3/h5-13H,4H2,1-3H3/b12-10-
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n/an/an/an/a 240n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43384
PNG
(MLS000543241 | N,N-dimethyl-2-(2-pyridinyl)-6-(tri...)
Show SMILES CN(C)c1cc(nc(n1)-c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C12H11F3N4/c1-19(2)10-7-9(12(13,14)15)17-11(18-10)8-5-3-4-6-16-8/h3-7H,1-2H3
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n/an/an/an/a 4.16E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43392
PNG
(MLS000578501 | N-(4-fluorophenyl)-2-(2-nitrophenyl...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H13FN2O5S/c20-13-9-11-14(12-10-13)21-19(23)15-5-1-3-7-17(15)28(26,27)18-8-4-2-6-16(18)22(24)25/h1-12H,(H,21,23)
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n/an/an/an/a 530n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43393
PNG
((5Z)-2-azanylidene-5-[[5-(3-chlorophenyl)furan-2-y...)
Show SMILES Clc1cccc(c1)-c1ccc(\C=C2/SC(=N)N(C2=O)c2nccs2)o1
Show InChI InChI=1S/C17H10ClN3O2S2/c18-11-3-1-2-10(8-11)13-5-4-12(23-13)9-14-15(22)21(16(19)25-14)17-20-6-7-24-17/h1-9,19H/b14-9-,19-16?
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n/an/an/an/a 10n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43412
PNG
((E)-3-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxy-1-adam...)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)C23CC4CC(CC(O)(C4)C2)C3)cc1OC
Show InChI InChI=1S/C27H31NO4/c1-31-23-9-3-18(12-24(23)32-2)4-10-25(29)28-22-7-5-21(6-8-22)26-13-19-11-20(14-26)16-27(30,15-19)17-26/h3-10,12,19-20,30H,11,13-17H2,1-2H3,(H,28,29)/b10-4+
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n/an/an/an/a 3.12E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43434
PNG
(3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-methoxyanili...)
Show SMILES COc1ccc(Nc2nc(cs2)C(=O)N2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C20H19N3O2S/c1-25-17-8-6-16(7-9-17)21-20-22-18(13-26-20)19(24)23-11-10-14-4-2-3-5-15(14)12-23/h2-9,13H,10-12H2,1H3,(H,21,22)
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n/an/an/an/a 1.23E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43447
PNG
((5Z)-1-[2-(4-fluorophenyl)ethyl]-5-[(E)-3-phenylpr...)
Show SMILES Fc1ccc(CCN2C(=O)NC(=O)\C(=C\C=C\c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C21H17FN2O3/c22-17-11-9-16(10-12-17)13-14-24-20(26)18(19(25)23-21(24)27)8-4-7-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,23,25,27)/b7-4+,18-8-
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n/an/an/an/a 130n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43460
PNG
(6-(methoxymethyl)-2-phenyl-N-propyl-4-pyrimidinami...)
Show SMILES CCCNc1cc(COC)nc(n1)-c1ccccc1
Show InChI InChI=1S/C15H19N3O/c1-3-9-16-14-10-13(11-19-2)17-15(18-14)12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3,(H,16,17,18)
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n/an/an/an/a 1.53E+7n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43465
PNG
((Z)-2,3-bis(chloranyl)-3-[(4-chlorophenyl)methylsu...)
Show SMILES COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C16H13Cl3N2O3S/c1-24-13-7-6-12(8-20-13)21-16(22)14(18)15(19)25(23)9-10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,21,22)
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n/an/an/an/a 620n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43471
PNG
(2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-p-phen...)
Show SMILES CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)cc1
Show InChI InChI=1S/C14H18N4O4S/c1-3-22-12-6-4-11(5-7-12)17-13(19)9-18(2)23(20,21)14-8-15-10-16-14/h4-8,10H,3,9H2,1-2H3,(H,15,16)(H,17,19)
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n/an/an/an/a 2.50E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43474
PNG
((3Z,5E)-1-ethyl-3,5-bis(3-hydroxy-4-methoxy-benzyl...)
Show SMILES CCN1C\C(=C\c2ccc(OC)c(O)c2)C(=O)\C(C1)=C\c1ccc(OC)c(O)c1
Show InChI InChI=1S/C23H25NO5/c1-4-24-13-17(9-15-5-7-21(28-2)19(25)11-15)23(27)18(14-24)10-16-6-8-22(29-3)20(26)12-16/h5-12,25-26H,4,13-14H2,1-3H3/b17-9-,18-10+
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n/an/an/an/a 380n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43479
PNG
(1-Piperidinecarboxylic acid, 4-oxo-3,5-bis(phenyl-...)
Show SMILES CCOC(=O)N1CC(=Cc2ccccc2)C(=O)C(C1)=Cc1ccccc1
Show InChI InChI=1S/C22H21NO3/c1-2-26-22(25)23-15-19(13-17-9-5-3-6-10-17)21(24)20(16-23)14-18-11-7-4-8-12-18/h3-14H,2,15-16H2,1H3
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n/an/an/an/a 610n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43481
PNG
(MLS000778251 | Morpholine-4-carbothioic acid [2-ox...)
Show SMILES O=C1N=c2ccccc2=C1NNC(=S)N1CCOCC1
Show InChI InChI=1S/C13H14N4O2S/c18-12-11(9-3-1-2-4-10(9)14-12)15-16-13(20)17-5-7-19-8-6-17/h1-4H,5-8H2,(H,16,20)(H,14,15,18)
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n/an/an/an/a 2.24E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43493
PNG
(MLS000859879 | N-[4-(1,2,3-thiadiazol-4-yl)phenyl]...)
Show SMILES O=C(Nc1ccc(cc1)-c1csnn1)C1CC1
Show InChI InChI=1S/C12H11N3OS/c16-12(9-1-2-9)13-10-5-3-8(4-6-10)11-7-17-15-14-11/h3-7,9H,1-2H2,(H,13,16)
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n/an/an/an/a 3.55E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43370
PNG
(2-(1-ethyl-2,4-diketo-quinazolin-3-yl)-N-(3,4,5-tr...)
Show SMILES CCn1c2ccccc2c(=O)n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O
Show InChI InChI=1S/C21H23N3O6/c1-5-23-15-9-7-6-8-14(15)20(26)24(21(23)27)12-18(25)22-13-10-16(28-2)19(30-4)17(11-13)29-3/h6-11H,5,12H2,1-4H3,(H,22,25)
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n/an/an/an/a 1.33E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43372
PNG
(4-(2,6-Dimethyl-morpholin-4-yl)-8-methoxy-5H-pyrim...)
Show SMILES COc1ccc2[nH]c3c(ncnc3c2c1)N1CC(C)OC(C)C1
Show InChI InChI=1S/C17H20N4O2/c1-10-7-21(8-11(2)23-10)17-16-15(18-9-19-17)13-6-12(22-3)4-5-14(13)20-16/h4-6,9-11,20H,7-8H2,1-3H3
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n/an/an/an/a 7.39E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43381
PNG
(MLS000544543 | N'-{3-[(2,3-dihydro-1H-inden-5-...)
Show SMILES COc1cccc(OC)c1C(=O)NNC(=O)c1cccc(COc2ccc3CCCc3c2)c1
Show InChI InChI=1S/C26H26N2O5/c1-31-22-10-5-11-23(32-2)24(22)26(30)28-27-25(29)20-9-3-6-17(14-20)16-33-21-13-12-18-7-4-8-19(18)15-21/h3,5-6,9-15H,4,7-8,16H2,1-2H3,(H,27,29)(H,28,30)
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n/an/an/an/a 2.10n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43386
PNG
((E)-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)-3-(...)
Show SMILES COc1cc(\C=C\C(=O)n2c(SCC=C)nc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C22H22N2O4S/c1-5-12-29-22-23-16-8-6-7-9-17(16)24(22)20(25)11-10-15-13-18(26-2)21(28-4)19(14-15)27-3/h5-11,13-14H,1,12H2,2-4H3/b11-10+
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n/an/an/an/a 270n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43390
PNG
((E)-3-(3,4-dimethoxyphenyl)-1-(2-ethylsulfanylbenz...)
Show SMILES CCSc1nc2ccccc2n1C(=O)\C=C\c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O3S/c1-4-26-20-21-15-7-5-6-8-16(15)22(20)19(23)12-10-14-9-11-17(24-2)18(13-14)25-3/h5-13H,4H2,1-3H3/b12-10+
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n/an/an/an/a 2.65E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43408
PNG
(MLS000720425 | N-(3-aminocarbonyl-4,5,6,7-tetrahyd...)
Show SMILES NC(=O)c1c(NC(=O)C2CCCO2)sc2CCCCc12
Show InChI InChI=1S/C14H18N2O3S/c15-12(17)11-8-4-1-2-6-10(8)20-14(11)16-13(18)9-5-3-7-19-9/h9H,1-7H2,(H2,15,17)(H,16,18)
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n/an/an/an/a 7.26E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43429
PNG
(2,2,6-trimethyl-1-benzothiopyran 1-oxide | 2,2,6-t...)
Show SMILES Cc1ccc2c(C=CC(C)(C)S2=O)c1
Show InChI InChI=1S/C12H14OS/c1-9-4-5-11-10(8-9)6-7-12(2,3)14(11)13/h4-8H,1-3H3
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n/an/an/an/a 1.17E+6n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM34843
PNG
((1-hydroxy-5-nitro-spiro[benzimidazole-2,1'-cycloh...)
Show SMILES [O-][N+](=O)c1ccc2c(NC3(CCCCC3)[N+]2=O)c1[N-]CCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c25-23-16-9-10-17(24(26)27)18(21-14-11-15-7-3-1-4-8-15)19(16)22-20(23)12-5-2-6-13-20/h1,3-4,7-10,22H,2,5-6,11-14H2
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n/an/an/an/a 3.93E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43441
PNG
(4-hydroxy-3-methoxy-benzoic acid propyl ester | 4-...)
Show SMILES CCCOC(=O)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C11H14O4/c1-3-6-15-11(13)8-4-5-9(12)10(7-8)14-2/h4-5,7,12H,3,6H2,1-2H3
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n/an/an/an/a 4.68E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43446
PNG
(3-methyl-1-(4-tosylpiperazino)butan-1-one | 3-meth...)
Show SMILES CC(C)CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H24N2O3S/c1-13(2)12-16(19)17-8-10-18(11-9-17)22(20,21)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
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n/an/an/an/a 7.17E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43454
PNG
(MLS000729575 | N-(2-chloranylpyridin-3-yl)-4-[4-(2...)
Show SMILES COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccnc1Cl)C(F)(F)F
Show InChI InChI=1S/C21H18ClF3N4O4S/c1-33-16-8-3-2-6-13(16)15-12-17(21(23,24)25)29-20(28-15)34(31,32)11-5-9-18(30)27-14-7-4-10-26-19(14)22/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,27,30)
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n/an/an/an/a 2.00E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43470
PNG
((3E)-3-{[(4-methoxyphenoxy)acetyl]hydrazono}-N-(3-...)
Show SMILES COc1ccc(OCC(=O)N[N-][C+](C)CC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H20N4O6/c1-13(10-18(24)20-14-4-3-5-15(11-14)23(26)27)21-22-19(25)12-29-17-8-6-16(28-2)7-9-17/h3-9,11H,10,12H2,1-2H3,(H,20,24)(H,22,25)
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n/an/an/an/a 1.57E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43472
PNG
(MLS000419411 | N-(1,3-diketoisoindolin-5-yl)-2,3-d...)
Show SMILES O=C(Nc1ccc2C(=O)NC(=O)c2c1)C1COc2ccccc2O1
Show InChI InChI=1S/C17H12N2O5/c20-15-10-6-5-9(7-11(10)16(21)19-15)18-17(22)14-8-23-12-3-1-2-4-13(12)24-14/h1-7,14H,8H2,(H,18,22)(H,19,20,21)
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n/an/an/an/a 6.75E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43473
PNG
((5-phenyl-1,3,4-oxadiazol-2-yl)-(2-thienyl)methano...)
Show SMILES OC(c1cccs1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C13H10N2O2S/c16-11(10-7-4-8-18-10)13-15-14-12(17-13)9-5-2-1-3-6-9/h1-8,11,16H
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n/an/an/an/a 4.41E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43487
PNG
(2-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl...)
Show SMILES COc1cc(NC(=O)c2cnc(N)s2)cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N4O3S/c1-29-14-6-10(5-13(8-14)26-17(28)15-9-24-18(23)30-15)16(27)25-12-4-2-3-11(7-12)19(20,21)22/h2-9H,1H3,(H2,23,24)(H,25,27)(H,26,28)
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n/an/an/an/a 2.29E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43492
PNG
(1-(3,5-dichlorophenyl)-4-(3-pyridinylmethylideneam...)
Show SMILES Clc1cc(Cl)cc(c1)N1CC(=O)N(CC1=O)N=Cc1cccnc1
Show InChI InChI=1S/C16H12Cl2N4O2/c17-12-4-13(18)6-14(5-12)21-9-16(24)22(10-15(21)23)20-8-11-2-1-3-19-7-11/h1-8H,9-10H2
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n/an/an/an/a 10n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43499
PNG
(2-(1,1-diketo-5-methylene-3,4-dihydro-1,2-benzothi...)
Show SMILES COC(=O)C(C(C)C)N1CCC(=C)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C16H21NO4S/c1-11(2)15(16(18)21-4)17-10-9-12(3)13-7-5-6-8-14(13)22(17,19)20/h5-8,11,15H,3,9-10H2,1-2,4H3
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n/an/an/an/a 1.64E+9n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43349
PNG
(4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(pyrid...)
Show SMILES Cc1noc(C)c1COc1ccc(cc1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C19H19N3O3/c1-13-18(14(2)25-22-13)12-24-17-8-6-15(7-9-17)19(23)21-11-16-5-3-4-10-20-16/h3-10H,11-12H2,1-2H3,(H,21,23)
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n/an/an/an/a 2.96E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43350
PNG
(1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-...)
Show SMILES Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1CC1CCCO1
Show InChI InChI=1S/C21H24N4O2S2/c1-14-11-18(15(2)25(14)12-17-9-6-10-27-17)19(26)13-28-21-24-23-20(29-21)22-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3,(H,22,23)
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n/an/an/an/a 2.04E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43352
PNG
(MLS000048911 | SMR000061449 | [2-[4-(difluorometho...)
Show SMILES FC(F)Oc1ccc(cc1)C(=O)COC(=O)C1CCCC1
Show InChI InChI=1S/C15H16F2O4/c16-15(17)21-12-7-5-10(6-8-12)13(18)9-20-14(19)11-3-1-2-4-11/h5-8,11,15H,1-4,9H2
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n/an/an/an/a 1.10E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43356
PNG
(MLS000052814 | N-cyclohexyl-2-[(2-methoxy-5-methyl...)
Show SMILES COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC1CCCCC1
Show InChI InChI=1S/C17H26N2O4S/c1-13-9-10-15(23-3)16(11-13)24(21,22)19(2)12-17(20)18-14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3,(H,18,20)
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n/an/an/an/a 1.38E+8n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43357
PNG
(2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4...)
Show SMILES CN(C)c1oc(nc1C#N)-c1ccccc1Cl
Show InChI InChI=1S/C12H10ClN3O/c1-16(2)12-10(7-14)15-11(17-12)8-5-3-4-6-9(8)13/h3-6H,1-2H3
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n/an/an/an/a 2.49E+6n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43359
PNG
(2-bromanyl-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2...)
Show SMILES Clc1ccc(cc1)-c1nnc(NC(=O)c2ccccc2Br)o1
Show InChI InChI=1S/C15H9BrClN3O2/c16-12-4-2-1-3-11(12)13(21)18-15-20-19-14(22-15)9-5-7-10(17)8-6-9/h1-8H,(H,18,20,21)
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n/an/an/an/a 1.28E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43360
PNG
(2-(1,3-dimethyl-2,4-dioxo-7-propan-2-ylpyrimido[4,...)
Show SMILES CC(C)c1nc(SCC(=O)Nc2cc(C)on2)c2c(n1)n(C)c(=O)n(C)c2=O
Show InChI InChI=1S/C17H20N6O4S/c1-8(2)13-19-14-12(16(25)23(5)17(26)22(14)4)15(20-13)28-7-11(24)18-10-6-9(3)27-21-10/h6,8H,7H2,1-5H3,(H,18,21,24)
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n/an/an/an/a 1.23E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43365
PNG
(8-Bromo-3-methyl-7-(3-phenyl-propyl)-3,7-dihydro-p...)
Show SMILES Cn1c2nc(Br)n(CCCc3ccccc3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C15H15BrN4O2/c1-19-12-11(13(21)18-15(19)22)20(14(16)17-12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,18,21,22)
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n/an/an/an/a 4.65E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43376
PNG
(2-[3-(4-ethyl-1-piperazinyl)-3-oxopropyl]-1H-quina...)
Show SMILES CCN1CCN(CC1)C(=O)CCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C17H22N4O2/c1-2-20-9-11-21(12-10-20)16(22)8-7-15-18-14-6-4-3-5-13(14)17(23)19-15/h3-6H,2,7-12H2,1H3,(H,18,19,23)
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n/an/an/an/a 1.25E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43380
PNG
(2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic...)
Show SMILES CN(CC(=O)OCC(=O)N1CCc2ccccc12)S(=O)(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C21H23N3O6S/c1-15(25)22-17-7-9-18(10-8-17)31(28,29)23(2)13-21(27)30-14-20(26)24-12-11-16-5-3-4-6-19(16)24/h3-10H,11-14H2,1-2H3,(H,22,25)
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n/an/an/an/a 1.49E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM41066
PNG
(8-(3-Methyl-thiophen-2-yl)-8,10,11,12-tetrahydro-7...)
Show SMILES Cc1ccsc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2
Show InChI InChI=1S/C21H18N2OS/c1-12-9-11-25-21(12)20-19-14(4-2-6-17(19)24)18-13-5-3-10-22-15(13)7-8-16(18)23-20/h3,5,7-11,20,23H,2,4,6H2,1H3
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n/an/an/an/a 2.50E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43388
PNG
((E)-4-[2-[2-[[(E)-4-ethoxy-1,4-dioxobut-2-enyl]ami...)
Show SMILES CCOC(=O)\C=C\C(=O)Nc1ccccc1-c1ccccc1NC(=O)\C=C\C(=O)OCC
Show InChI InChI=1S/C24H24N2O6/c1-3-31-23(29)15-13-21(27)25-19-11-7-5-9-17(19)18-10-6-8-12-20(18)26-22(28)14-16-24(30)32-4-2/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)/b15-13+,16-14+
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n/an/an/an/a 4.34E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43394
PNG
(4-Methyl-N-{5-[1-(1-methyl-1H-pyrrol-2-yl)-meth-(Z...)
Show SMILES Cc1ccc(cc1)C(=O)NN1C(=S)S\C(=C/c2cccn2C)C1=O
Show InChI InChI=1S/C17H15N3O2S2/c1-11-5-7-12(8-6-11)15(21)18-20-16(22)14(24-17(20)23)10-13-4-3-9-19(13)2/h3-10H,1-2H3,(H,18,21)/b14-10-
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n/an/an/an/a 90n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43401
PNG
(2-[4-(3,4-Dimethoxy-phenyl)-6-trifluoromethyl-pyri...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(SCC(=O)NCc2cnn(C)c2C)n1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O3S/c1-12-14(10-26-29(12)2)9-25-19(30)11-33-20-27-15(8-18(28-20)21(22,23)24)13-5-6-16(31-3)17(7-13)32-4/h5-8,10H,9,11H2,1-4H3,(H,25,30)
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n/an/an/an/a 1.63E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43402
PNG
(4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(phenylmeth...)
Show SMILES Cc1nn(CCCC(=O)NCc2ccccc2)c(C)c1[N+]([O-])=O
Show InChI InChI=1S/C16H20N4O3/c1-12-16(20(22)23)13(2)19(18-12)10-6-9-15(21)17-11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3,(H,17,21)
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n/an/an/an/a 9.49E+7n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43403
PNG
(2-N,4-N-bis[(3-methoxyphenyl)methylideneamino]-3,5...)
Show SMILES COc1cccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3cccc(OC)c3)c2C)c1
Show InChI InChI=1S/C24H25N5O4/c1-15-21(23(30)28-25-13-17-7-5-9-19(11-17)32-3)16(2)27-22(15)24(31)29-26-14-18-8-6-10-20(12-18)33-4/h5-14,27H,1-4H3,(H,28,30)(H,29,31)
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n/an/an/an/a 6.15E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43404
PNG
(2-(dipropylthiocarbamoylamino)benzene-1,4-dicarbox...)
Show SMILES CCCN(CCC)C(=S)Nc1cc(ccc1C(=O)OC)C(=O)OC
Show InChI InChI=1S/C17H24N2O4S/c1-5-9-19(10-6-2)17(24)18-14-11-12(15(20)22-3)7-8-13(14)16(21)23-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,24)
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n/an/an/an/a 3.43E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43413
PNG
(2-(2-methoxy-5-methyl-phenyl)-3,3-dimethyl-indole ...)
Show SMILES COc1ccc(C)cc1C1=Nc2ccccc2C1(C)C
Show InChI InChI=1S/C18H19NO/c1-12-9-10-16(20-4)13(11-12)17-18(2,3)14-7-5-6-8-15(14)19-17/h5-11H,1-4H3
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n/an/an/an/a 1.54E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43414
PNG
(6-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(phenyl...)
Show SMILES Cc1nn(c(C)c1Br)-c1nnc(NCc2ccccc2)nn1
Show InChI InChI=1S/C14H14BrN7/c1-9-12(15)10(2)22(21-9)14-19-17-13(18-20-14)16-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17,18)
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n/an/an/an/a 1.34E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43415
PNG
(MLS000334873 | N-(2-methylphenyl)-5-(2-oxanylmethy...)
Show SMILES Cc1ccccc1Nc1nnc(SCC2CCCCO2)s1
Show InChI InChI=1S/C15H19N3OS2/c1-11-6-2-3-8-13(11)16-14-17-18-15(21-14)20-10-12-7-4-5-9-19-12/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,16,17)
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n/an/an/an/a 8.93E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43419
PNG
(MLS000390566 | N-(2,5-dimethylphenyl)-2-phenyl-2-[...)
Show SMILES Cc1ccc(C)c(NC(=O)C(Sc2nnc(o2)-c2cccs2)c2ccccc2)c1
Show InChI InChI=1S/C22H19N3O2S2/c1-14-10-11-15(2)17(13-14)23-20(26)19(16-7-4-3-5-8-16)29-22-25-24-21(27-22)18-9-6-12-28-18/h3-13,19H,1-2H3,(H,23,26)
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n/an/an/an/a 2.50E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43427
PNG
(2-keto-6-(2-methoxyphenyl)-4-(methylthio)pyran-3-c...)
Show SMILES COc1ccccc1-c1cc(SC)c(C#N)c(=O)o1
Show InChI InChI=1S/C14H11NO3S/c1-17-11-6-4-3-5-9(11)12-7-13(19-2)10(8-15)14(16)18-12/h3-7H,1-2H3
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n/an/an/an/a 1.11E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43428
PNG
(3-[(4-isopropylphenoxy)methyl]-N'-(3-pyridinyl...)
Show SMILES CC(C)c1ccc(OCc2cccc(c2)C(=O)NN=Cc2cccnc2)cc1
Show InChI InChI=1S/C23H23N3O2/c1-17(2)20-8-10-22(11-9-20)28-16-18-5-3-7-21(13-18)23(27)26-25-15-19-6-4-12-24-14-19/h3-15,17H,16H2,1-2H3,(H,26,27)
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n/an/an/an/a 20n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43440
PNG
(1-(3-morpholinopropyl)-3-p-phenetyl-thiourea | 1-(...)
Show SMILES CCOc1ccc(NC(=S)NCCCN2CCOCC2)cc1
Show InChI InChI=1S/C16H25N3O2S/c1-2-21-15-6-4-14(5-7-15)18-16(22)17-8-3-9-19-10-12-20-13-11-19/h4-7H,2-3,8-13H2,1H3,(H2,17,18,22)
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n/an/an/an/a 1.95E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43443
PNG
(5-N-(isoquinolin-5-ylmethyl)-6-N-(2-methoxyethyl)-...)
Show SMILES COCCNc1nc2nonc2nc1N(C)Cc1cccc2cnccc12
Show InChI InChI=1S/C18H19N7O2/c1-25(11-13-5-3-4-12-10-19-7-6-14(12)13)18-17(20-8-9-26-2)21-15-16(22-18)24-27-23-15/h3-7,10H,8-9,11H2,1-2H3,(H,20,21,23)
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n/an/an/an/a 220n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43448
PNG
(MLS000687087 | N-(2-furanylmethyl)-2-[(3,6,7-trime...)
Show SMILES Cc1cc2cc(C)c(SCC(=O)NCc3ccco3)nc2cc1C
Show InChI InChI=1S/C19H20N2O2S/c1-12-7-15-8-14(3)19(21-17(15)9-13(12)2)24-11-18(22)20-10-16-5-4-6-23-16/h4-9H,10-11H2,1-3H3,(H,20,22)
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n/an/an/an/a 4.89E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43457
PNG
((E)-1-(1-benzimidazolyl)-3-(3-nitrophenyl)-2-prope...)
Show SMILES [O-][N+](=O)c1cccc(\C=C\C(=O)n2cnc3ccccc23)c1
Show InChI InChI=1S/C16H11N3O3/c20-16(18-11-17-14-6-1-2-7-15(14)18)9-8-12-4-3-5-13(10-12)19(21)22/h1-11H/b9-8+
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n/an/an/an/a 1.68E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43461
PNG
(5-[(E)-2-(dimethylamino)ethenyl]-3-[(2-methyl-1,3-...)
Show SMILES CN(C)\C=C\c1snc(SCc2csc(C)n2)c1C#N
Show InChI InChI=1S/C13H14N4S3/c1-9-15-10(7-18-9)8-19-13-11(6-14)12(20-16-13)4-5-17(2)3/h4-5,7H,8H2,1-3H3/b5-4+
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n/an/an/an/a 1.98E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43467
PNG
(5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-4-...)
Show SMILES CCOC(=O)C1C(N(C)OC1(O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C14H16F3NO4/c1-3-21-12(19)10-11(9-7-5-4-6-8-9)18(2)22-13(10,20)14(15,16)17/h4-8,10-11,20H,3H2,1-2H3
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n/an/an/an/a 9.58E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43480
PNG
(11H-Benzo[a]carbazole-1,4-dione, 7,11-dimethyl- | ...)
Show SMILES Cc1cccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c12
Show InChI InChI=1S/C18H13NO2/c1-10-4-3-5-13-16(10)12-7-6-11-14(20)8-9-15(21)17(11)18(12)19(13)2/h3-9H,1-2H3
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n/an/an/an/a 1.03E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43485
PNG
(2,3-Epoxy-helenalin | MLS000728542 | SMR000445655 ...)
Show SMILES C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C1OC1C2=O
Show InChI InChI=1S/C15H18O5/c1-5-4-7-8(6(2)14(18)19-7)12(16)15(3)9(5)10-11(20-10)13(15)17/h5,7-12,16H,2,4H2,1,3H3/t5-,7-,8-,9-,10?,11?,12+,15-/m1/s1
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n/an/an/an/a 1.16E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM39392
PNG
(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carboxy...)
Show SMILES COc1ccc2[nH]c(C(O)=O)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H16N2O4/c1-8(17)15-6-5-10-11-7-9(20-2)3-4-12(11)16-13(10)14(18)19/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)(H,18,19)
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n/an/an/an/a 390n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43366
PNG
(5'-isopropyl-5-phenyl-spiro[3H-1,3,4-thiadiazole-2...)
Show SMILES CC(C)c1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1
Show InChI InChI=1S/C18H17N3OS/c1-11(2)13-8-9-15-14(10-13)18(17(22)19-15)21-20-16(23-18)12-6-4-3-5-7-12/h3-11,21H,1-2H3,(H,19,22)
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n/an/an/an/a 1.42E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43368
PNG
((1-acetamido-2,2,2-trichloroethyl) N,N-dimethylcar...)
Show SMILES CN(C)C(=S)SC(NC(C)=O)C(Cl)(Cl)Cl
Show InChI InChI=1S/C7H11Cl3N2OS2/c1-4(13)11-5(7(8,9)10)15-6(14)12(2)3/h5H,1-3H3,(H,11,13)
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n/an/an/an/a 4.30E+6n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43369
PNG
(2-chloro-4,5-difluoro-benzoic acid (3-besyl-4,6-di...)
Show SMILES Cc1cc(C)c(c(OC(=O)c2cc(F)c(F)cc2Cl)n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H14ClF2NO4S/c1-11-8-12(2)24-19(18(11)29(26,27)13-6-4-3-5-7-13)28-20(25)14-9-16(22)17(23)10-15(14)21/h3-10H,1-2H3
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n/an/an/an/a 1.86E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43387
PNG
((E)-5-methyl-1-(2-sulfanylidene-1,3-benzoxazol-3-y...)
Show SMILES CC(C)CC(=O)C=Cn1c2ccccc2oc1=S
Show InChI InChI=1S/C14H15NO2S/c1-10(2)9-11(16)7-8-15-12-5-3-4-6-13(12)17-14(15)18/h3-8,10H,9H2,1-2H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43389
PNG
(1-[(2,5-dimethylanilino)-sulfanylidenemethyl]-4-pi...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=S)Nc1cc(C)ccc1C
Show InChI InChI=1S/C17H24N2O2S/c1-4-21-16(20)14-7-9-19(10-8-14)17(22)18-15-11-12(2)5-6-13(15)3/h5-6,11,14H,4,7-10H2,1-3H3,(H,18,22)
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n/an/an/an/a 4.34E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43410
PNG
(MLS000720375 | N-(1,3-benzodioxol-5-yl)-2-[[3-(4-m...)
Show SMILES COc1ccc(cc1)-c1nsc(SCC(=O)Nc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C18H15N3O4S2/c1-23-13-5-2-11(3-6-13)17-20-18(27-21-17)26-9-16(22)19-12-4-7-14-15(8-12)25-10-24-14/h2-8H,9-10H2,1H3,(H,19,22)
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n/an/an/an/a 190n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43411
PNG
(4-isopropoxy-N-(4-morpholinylcarbonothioyl)benzami...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)NC(=S)N1CCOCC1
Show InChI InChI=1S/C15H20N2O3S/c1-11(2)20-13-5-3-12(4-6-13)14(18)16-15(21)17-7-9-19-10-8-17/h3-6,11H,7-10H2,1-2H3,(H,16,18,21)
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n/an/an/an/a 2.50E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43418
PNG
(2-[(3,5-dimethylbenzoyl)amino]acetic acid [2-keto-...)
Show SMILES COc1ccc(C)cc1NC(=O)C(OC(=O)CNC(=O)c1cc(C)cc(C)c1)c1ccccc1
Show InChI InChI=1S/C27H28N2O5/c1-17-10-11-23(33-4)22(15-17)29-27(32)25(20-8-6-5-7-9-20)34-24(30)16-28-26(31)21-13-18(2)12-19(3)14-21/h5-15,25H,16H2,1-4H3,(H,28,31)(H,29,32)
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n/an/an/an/a 7.51E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43421
PNG
(MLS000389233 | N-(3-methylphenyl)-5-(2-oxanylmethy...)
Show SMILES Cc1cccc(Nc2nnc(SCC3CCCCO3)s2)c1
Show InChI InChI=1S/C15H19N3OS2/c1-11-5-4-6-12(9-11)16-14-17-18-15(21-14)20-10-13-7-2-3-8-19-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,17)
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n/an/an/an/a 1.12E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43435
PNG
(1'-{[5-(hydroxymethyl)-2-furyl]methyl}-N-(2-ph...)
Show SMILES OCc1ccc(CN2CCC(CC2)N2CCC(CC2)C(=O)NCCc2ccccc2)o1
Show InChI InChI=1S/C25H35N3O3/c29-19-24-7-6-23(31-24)18-27-14-11-22(12-15-27)28-16-9-21(10-17-28)25(30)26-13-8-20-4-2-1-3-5-20/h1-7,21-22,29H,8-19H2,(H,26,30)
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n/an/an/an/a 3.27E+6n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43436
PNG
(MLS000680088 | N-[4-[[2-(3-pyridinylmethylthio)-4,...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN=C1SCc1cccnc1
Show InChI InChI=1S/C17H18N4O3S2/c1-13(22)20-15-4-6-16(7-5-15)26(23,24)21-10-9-19-17(21)25-12-14-3-2-8-18-11-14/h2-8,11H,9-10,12H2,1H3,(H,20,22)
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n/an/an/an/a 9.39E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43438
PNG
(3-(2-keto-5,5-dimethyl-tetrahydrofuran-3-yl)-N-(p-...)
Show SMILES Cc1ccc(NC(=O)CCC2CC(C)(C)OC2=O)cc1
Show InChI InChI=1S/C16H21NO3/c1-11-4-7-13(8-5-11)17-14(18)9-6-12-10-16(2,3)20-15(12)19/h4-5,7-8,12H,6,9-10H2,1-3H3,(H,17,18)
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n/an/an/an/a 7.77E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43444
PNG
(2-(5-methyl-1-tetrazolyl)acetic acid ethyl ester |...)
Show SMILES CCOC(=O)Cn1nnnc1C
Show InChI InChI=1S/C6H10N4O2/c1-3-12-6(11)4-10-5(2)7-8-9-10/h3-4H2,1-2H3
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n/an/an/an/a 8.27E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43466
PNG
(5-[(E)-2-(4-fluoroanilino)ethenyl]-3-(methylthio)-...)
Show SMILES CSc1nsc(CC=Nc2ccc(F)cc2)c1C#N
Show InChI InChI=1S/C13H10FN3S2/c1-18-13-11(8-15)12(19-17-13)6-7-16-10-4-2-9(14)3-5-10/h2-5,7H,6H2,1H3
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n/an/an/an/a 2.40E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43358
PNG
(5-(2-fluorobenzyl)-6,11-diketo-benzo[b][1,4]benzot...)
Show SMILES OC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2=O
Show InChI InChI=1S/C21H14FNO4S/c22-16-7-3-1-5-14(16)12-23-17-11-13(21(25)26)9-10-19(17)28(27)18-8-4-2-6-15(18)20(23)24/h1-11H,12H2,(H,25,26)
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n/an/an/an/a 2.37E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43371
PNG
(4-[[2-[2-(dipropylamino)ethylamino]-3,4-diketo-cyc...)
Show SMILES CCCN(CCC)CCNc1c(NC2CCN(CC2)C(=O)OCC)c(=O)c1=O
Show InChI InChI=1S/C20H34N4O4/c1-4-10-23(11-5-2)14-9-21-16-17(19(26)18(16)25)22-15-7-12-24(13-8-15)20(27)28-6-3/h15,21-22H,4-14H2,1-3H3
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n/an/an/an/a 1.62E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43379
PNG
(2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-(cyclo...)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)c1ccccc1C(=O)OCC(=O)NC1CCCCCC1
Show InChI InChI=1S/C23H23ClN2O6/c24-19-12-11-15(13-20(19)26(30)31)22(28)17-9-5-6-10-18(17)23(29)32-14-21(27)25-16-7-3-1-2-4-8-16/h5-6,9-13,16H,1-4,7-8,14H2,(H,25,27)
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n/an/an/an/a 1.24E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43382
PNG
(MLS000537528 | N'-[(5-chloro-2-thienyl)methyle...)
Show SMILES Clc1ccc(C=NNC(=O)c2cccs2)s1
Show InChI InChI=1S/C10H7ClN2OS2/c11-9-4-3-7(16-9)6-12-13-10(14)8-2-1-5-15-8/h1-6H,(H,13,14)
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n/an/an/an/a 6.96E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43385
PNG
(MLS000546243 | N-(4-chlorophenyl)-3-nitro-4-(1-pyr...)
Show SMILES [O-][N+](=O)c1cc(ccc1-n1cccn1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClN4O3/c17-12-3-5-13(6-4-12)19-16(22)11-2-7-14(15(10-11)21(23)24)20-9-1-8-18-20/h1-10H,(H,19,22)
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n/an/an/an/a 8.84E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43395
PNG
((2E)-2-[4-(diethylamino)benzylidene]-1,3-diketo-in...)
Show SMILES CCN(CC)c1ccc(\C=C2/C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C21H19NO4/c1-3-22(4-2)15-8-5-13(6-9-15)11-18-19(23)16-10-7-14(21(25)26)12-17(16)20(18)24/h5-12H,3-4H2,1-2H3,(H,25,26)/b18-11+
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n/an/an/an/a 100n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43396
PNG
((E)-N-(5-Methyl-2H-[1,2,4]triazol-3-yl)-3-phenyl-a...)
Show SMILES Cc1nnc(NC(=O)C=Cc2ccccc2)[nH]1
Show InChI InChI=1S/C12H12N4O/c1-9-13-12(16-15-9)14-11(17)8-7-10-5-3-2-4-6-10/h2-8H,1H3,(H2,13,14,15,16,17)
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n/an/an/an/a 1.09E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43397
PNG
(2-(4-methylphenyl)-3-(3-pyridinyl)-4-quinazolinone...)
Show SMILES Cc1ccc(cc1)-c1nc2ccccc2c(=O)n1-c1cccnc1
Show InChI InChI=1S/C20H15N3O/c1-14-8-10-15(11-9-14)19-22-18-7-3-2-6-17(18)20(24)23(19)16-5-4-12-21-13-16/h2-13H,1H3
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n/an/an/an/a 5.45E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43398
PNG
((E)-4-(2-sulfanylidene-1,3-benzoxazol-3-yl)-3-bute...)
Show SMILES CC(=O)C=Cn1c2ccccc2oc1=S
Show InChI InChI=1S/C11H9NO2S/c1-8(13)6-7-12-9-4-2-3-5-10(9)14-11(12)15/h2-7H,1H3
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n/an/an/an/a 10n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43399
PNG
((2Z)-2-[4-(diethylamino)benzylidene]-1,3-diketo-in...)
Show SMILES CCN(CC)c1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C21H19NO4/c1-3-22(4-2)15-8-5-13(6-9-15)11-18-19(23)16-10-7-14(21(25)26)12-17(16)20(18)24/h5-12H,3-4H2,1-2H3,(H,25,26)/b18-11-
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n/an/an/an/a 70n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43400
PNG
(1-Chloro-2-ethyl-3-methyl-benzo[4,5]imidazo[1,2-a]...)
Show SMILES CCc1c(C)c(C#N)c2nc3ccccc3n2c1Cl
Show InChI InChI=1S/C15H12ClN3/c1-3-10-9(2)11(8-17)15-18-12-6-4-5-7-13(12)19(15)14(10)16/h4-7H,3H2,1-2H3
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n/an/an/an/a 9.98E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43405
PNG
(5-(3-chlorophenyl)-2-[(cyclopentylamino)methylene]...)
Show SMILES Clc1cccc(c1)C1CC(=O)C(=CNC2CCCC2)C(=O)C1
Show InChI InChI=1S/C18H20ClNO2/c19-14-5-3-4-12(8-14)13-9-17(21)16(18(22)10-13)11-20-15-6-1-2-7-15/h3-5,8,11,13,15,20H,1-2,6-7,9-10H2/b16-11-
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n/an/an/an/a 1.26E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43409
PNG
(2-[[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]met...)
Show SMILES Cc1cc(C=C2C(=O)CC(C)(C)CC2=O)c(C)n1-c1ccc(C)cc1
Show InChI InChI=1S/C22H25NO2/c1-14-6-8-18(9-7-14)23-15(2)10-17(16(23)3)11-19-20(24)12-22(4,5)13-21(19)25/h6-11H,12-13H2,1-5H3
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n/an/an/an/a 1.74E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43431
PNG
((5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3...)
Show SMILES O=C1NC(=Cc2ccc(o2)N2CCOCC2)C(=O)N1c1ccccc1
Show InChI InChI=1S/C18H17N3O4/c22-17-15(19-18(23)21(17)13-4-2-1-3-5-13)12-14-6-7-16(25-14)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,23)
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n/an/an/an/a 6.73E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43432
PNG
(4-[(4-fluorobenzyl)thio]-2-methyl-5-nitro-1H-imida...)
Show SMILES Cc1nc(c(SCc2ccc(F)cc2)[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C11H10FN3O2S/c1-7-13-10(15(16)17)11(14-7)18-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,14)
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n/an/an/an/a 7.19E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43445
PNG
(3-[(4Z)-3-methyl-5-oxidanylidene-4-[(Z)-3-phenylpr...)
Show SMILES OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccccc2)c1=O
Show InChI InChI=1S/C20H16N2O3/c1-14-18(12-5-9-15-7-3-2-4-8-15)19(23)22(21-14)17-11-6-10-16(13-17)20(24)25/h2-13,21H,1H2,(H,24,25)
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n/an/an/an/a 4.82E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43459
PNG
(3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl...)
Show SMILES COC(=O)c1c(\C=C\N(C)C)onc1-c1ccccc1Cl
Show InChI InChI=1S/C15H15ClN2O3/c1-18(2)9-8-12-13(15(19)20-3)14(17-21-12)10-6-4-5-7-11(10)16/h4-9H,1-3H3/b9-8+
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n/an/an/an/a 7.40E+8n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43463
PNG
((Z)-2,3-bis(chloranyl)-3-[(4-methoxyphenyl)methyls...)
Show SMILES COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1
Show InChI InChI=1S/C17H16Cl2N2O4S/c1-24-13-6-3-11(4-7-13)10-26(23)16(19)15(18)17(22)21-12-5-8-14(25-2)20-9-12/h3-9H,10H2,1-2H3,(H,21,22)
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n/an/an/an/a 560n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43468
PNG
(2-[4-[1-(2-chlorobenzyl)-2,4-diketo-quinazolin-3-y...)
Show SMILES Clc1ccccc1Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NCC3CCCO3)cc2)c1=O
Show InChI InChI=1S/C28H26ClN3O4/c29-24-9-3-1-6-20(24)18-31-25-10-4-2-8-23(25)27(34)32(28(31)35)21-13-11-19(12-14-21)16-26(33)30-17-22-7-5-15-36-22/h1-4,6,8-14,22H,5,7,15-18H2,(H,30,33)
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n/an/an/an/a 8.14E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43469
PNG
(1,3-bis(4-pyridyl)urea | 1,3-dipyridin-4-ylurea | ...)
Show SMILES O=C(Nc1ccncc1)Nc1ccncc1
Show InChI InChI=1S/C11H10N4O/c16-11(14-9-1-5-12-6-2-9)15-10-3-7-13-8-4-10/h1-8H,(H2,12,13,14,15,16)
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n/an/an/an/a 8.86E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43478
PNG
(1,2,4-Dithiazol-3-amine, 5-[(2-furanyl)methylimino...)
Show SMILES CN(C)c1n\c(=N\Cc2ccco2)ss1
Show InChI InChI=1S/C9H11N3OS2/c1-12(2)9-11-8(14-15-9)10-6-7-4-3-5-13-7/h3-5H,6H2,1-2H3/b10-8-
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n/an/an/an/a 260n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43488
PNG
((E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2-fl...)
Show SMILES Cc1cc(C)nc(S\C=C\C(=O)c2ccccc2F)n1
Show InChI InChI=1S/C15H13FN2OS/c1-10-9-11(2)18-15(17-10)20-8-7-14(19)12-5-3-4-6-13(12)16/h3-9H,1-2H3/b8-7+
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n/an/an/an/a 1.00E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43489
PNG
((E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-pheny...)
Show SMILES Cc1cc(C)nc(S\C=C\C(=O)c2ccccc2)n1
Show InChI InChI=1S/C15H14N2OS/c1-11-10-12(2)17-15(16-11)19-9-8-14(18)13-6-4-3-5-7-13/h3-10H,1-2H3/b9-8+
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n/an/an/an/a 1.32E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43495
PNG
(5-(benzylthio)-2-(2-pyridyl)-2,3-dihydro-1,3,4-thi...)
Show SMILES C(SC1=NNC(S1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C14H13N3S2/c1-2-6-11(7-3-1)10-18-14-17-16-13(19-14)12-8-4-5-9-15-12/h1-9,13,16H,10H2
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n/an/an/an/a 1.24E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43497
PNG
(2-N-benzyl-2-N-[2-(dimethylamino)ethyl]-6-N-methyl...)
Show SMILES CC(C)n1cnc2c(nc(nc12)N(CCN(C)C)Cc1ccccc1)N(C)c1ccccc1
Show InChI InChI=1S/C26H33N7/c1-20(2)33-19-27-23-24(31(5)22-14-10-7-11-15-22)28-26(29-25(23)33)32(17-16-30(3)4)18-21-12-8-6-9-13-21/h6-15,19-20H,16-18H2,1-5H3
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n/an/an/an/a 1.93E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43498
PNG
(1,1-bis(oxidanylidene)-2-(phenylmethyl)-3,4-dihydr...)
Show SMILES O=C1CCN(Cc2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C16H15NO3S/c18-15-10-11-17(12-13-6-2-1-3-7-13)21(19,20)16-9-5-4-8-14(15)16/h1-9H,10-12H2
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n/an/an/an/a 3.06E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43500
PNG
(1H-Benzo(a)carbazole-1,4-dione, 8,11-dimethyl- | 8...)
Show SMILES Cc1ccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c2c1
Show InChI InChI=1S/C18H13NO2/c1-10-3-6-14-13(9-10)11-4-5-12-15(20)7-8-16(21)17(12)18(11)19(14)2/h3-9H,1-2H3
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n/an/an/an/a 9.58E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43343
PNG
(MLS000032649 | N-Cyclohexyl-2-(4-cyclohexyl-5-pyri...)
Show SMILES O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C21H29N5OS/c27-19(23-17-9-3-1-4-10-17)15-28-21-25-24-20(16-8-7-13-22-14-16)26(21)18-11-5-2-6-12-18/h7-8,13-14,17-18H,1-6,9-12,15H2,(H,23,27)
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n/an/an/an/a 40n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM36838
PNG
(1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benz...)
Show SMILES C=CS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)C=C)cc1
Show InChI InChI=1S/C16H14O5S2/c1-3-22(17,18)15-9-5-13(6-10-15)21-14-7-11-16(12-8-14)23(19,20)4-2/h3-12H,1-2H2
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n/an/an/an/a 2.64E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43345
PNG
(MLS000034141 | N,N-Diethyl-2-(4-pyrimidin-2-yl-pip...)
Show SMILES CCN(CC)C(=O)CN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C14H23N5O/c1-3-18(4-2)13(20)12-17-8-10-19(11-9-17)14-15-6-5-7-16-14/h5-7H,3-4,8-12H2,1-2H3
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n/an/an/an/a 1.61E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM33570
PNG
(4-[1-(2-methoxy-5-methyl-phenyl)sulfonylnipecotoyl...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C1CCCN(C1)S(=O)(=O)c1cc(C)ccc1OC
Show InChI InChI=1S/C21H31N3O6S/c1-4-30-21(26)23-12-10-22(11-13-23)20(25)17-6-5-9-24(15-17)31(27,28)19-14-16(2)7-8-18(19)29-3/h7-8,14,17H,4-6,9-13,15H2,1-3H3
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n/an/an/an/a 4.91E+6n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43361
PNG
(1-[4-[3-(1-benzotriazolyl)-2-hydroxypropoxy]phenyl...)
Show SMILES CC(=O)c1ccc(OCC(O)Cn2nnc3ccccc23)cc1
Show InChI InChI=1S/C17H17N3O3/c1-12(21)13-6-8-15(9-7-13)23-11-14(22)10-20-17-5-3-2-4-16(17)18-19-20/h2-9,14,22H,10-11H2,1H3
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n/an/an/an/a 1.27E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43364
PNG
(1-[2-(4-methoxyphenyl)-5-methyl-3-oxidanyl-imidazo...)
Show SMILES COc1ccc(cc1)-c1nc(C)c(C(C)=O)n1O
Show InChI InChI=1S/C13H14N2O3/c1-8-12(9(2)16)15(17)13(14-8)10-4-6-11(18-3)7-5-10/h4-7,17H,1-3H3
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n/an/an/an/a 1.23E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43377
PNG
(2-[ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]amino]...)
Show SMILES CCN(CC(=O)Nc1ccc(cc1)N1CCOCC1)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C23H27N5O3/c1-2-27(15-21-25-20-6-4-3-5-19(20)23(30)26-21)16-22(29)24-17-7-9-18(10-8-17)28-11-13-31-14-12-28/h3-10H,2,11-16H2,1H3,(H,24,29)(H,25,26,30)
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n/an/an/an/a 30n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM40563
PNG
(5-bromanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thio...)
Show SMILES Brc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C13H8BrN3OS2/c14-11-5-4-10(20-11)12(18)17-13-16-9(7-19-13)8-3-1-2-6-15-8/h1-7H,(H,16,17,18)
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n/an/an/an/a 2.27E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43407
PNG
(4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(2-m...)
Show SMILES COCCn1c2ccc(cc2s\c1=N\C(=O)c1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12)S(C)(=O)=O
Show InChI InChI=1S/C27H27N3O6S3/c1-36-17-16-29-24-14-13-22(38(2,32)33)18-25(24)37-27(29)28-26(31)20-9-11-21(12-10-20)39(34,35)30-15-5-7-19-6-3-4-8-23(19)30/h3-4,6,8-14,18H,5,7,15-17H2,1-2H3/b28-27+
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n/an/an/an/a 1.03E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43417
PNG
(3-[allyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benz...)
Show SMILES CCCNC(=O)COC(=O)c1cccc(c1)S(=O)(=O)N(CC=C)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O5S/c1-3-11-26-20(28)15-32-21(29)16-7-5-10-19(13-16)33(30,31)27(12-4-2)18-9-6-8-17(14-18)22(23,24)25/h4-10,13-14H,2-3,11-12,15H2,1H3,(H,26,28)
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n/an/an/an/a 2.77E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43422
PNG
((E)-2-cyano-3-[3-[(E)-2-cyano-3-(2-methoxyethylami...)
Show SMILES COCCNC(=O)C(=C\c1cccc(\C=C(/C#N)C(=O)NCCOC)c1)\C#N
Show InChI InChI=1S/C20H22N4O4/c1-27-8-6-23-19(25)17(13-21)11-15-4-3-5-16(10-15)12-18(14-22)20(26)24-7-9-28-2/h3-5,10-12H,6-9H2,1-2H3,(H,23,25)(H,24,26)/b17-11+,18-12+
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n/an/an/an/a 940n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43423
PNG
(2-(2-methoxyphenoxy)-N-(2-piperidin-1-yl-5-piperid...)
Show SMILES COc1ccccc1OCC(=O)Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C25H33N3O5S/c1-32-23-10-4-5-11-24(23)33-19-25(29)26-21-18-20(34(30,31)28-16-8-3-9-17-28)12-13-22(21)27-14-6-2-7-15-27/h4-5,10-13,18H,2-3,6-9,14-17,19H2,1H3,(H,26,29)
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n/an/an/an/a 6.40E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43424
PNG
(2-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-...)
Show SMILES Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl
Show InChI InChI=1S/C13H17Cl2N3O2/c14-10-7-17-18(13(20)12(10)15)8-11(19)16-6-9-4-2-1-3-5-9/h7,9H,1-6,8H2,(H,16,19)
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n/an/an/an/a 1.89E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43425
PNG
(MLS000392773 | N-[(2-chlorophenyl)methylideneamino...)
Show SMILES Clc1ccccc1C=NNC1=Nc2cccc3cccc1c23
Show InChI InChI=1S/C18H12ClN3/c19-15-9-2-1-5-13(15)11-20-22-18-14-8-3-6-12-7-4-10-16(21-18)17(12)14/h1-11H,(H,21,22)
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n/an/an/an/a 1.06E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43426
PNG
(2-(2-fluorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]...)
Show SMILES Cc1n(nc2c(SCCN3CCOCC3)nnc(C)c12)-c1ccccc1F
Show InChI InChI=1S/C19H22FN5OS/c1-13-17-14(2)25(16-6-4-3-5-15(16)20)23-18(17)19(22-21-13)27-12-9-24-7-10-26-11-8-24/h3-6H,7-12H2,1-2H3
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n/an/an/an/a 2.43E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43439
PNG
(3-[(2,5-dimethoxybenzyl)amino]-2-(2-fluorophenyl)q...)
Show SMILES COc1ccc(OC)c(CNn2c(nc3ccccc3c2=O)-c2ccccc2F)c1
Show InChI InChI=1S/C23H20FN3O3/c1-29-16-11-12-21(30-2)15(13-16)14-25-27-22(17-7-3-5-9-19(17)24)26-20-10-6-4-8-18(20)23(27)28/h3-13,25H,14H2,1-2H3
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n/an/an/an/a 8.50E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43442
PNG
(2-[4-(5-methyl-2-phenyl-2-pyrazolin-3-yl)phenoxy]a...)
Show SMILES CCOC(=O)COc1ccc(cc1)C1CC(C)=NN1c1ccccc1
Show InChI InChI=1S/C20H22N2O3/c1-3-24-20(23)14-25-18-11-9-16(10-12-18)19-13-15(2)21-22(19)17-7-5-4-6-8-17/h4-12,19H,3,13-14H2,1-2H3
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n/an/an/an/a 5.18E+6n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43449
PNG
((6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2...)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)c1ccco1
Show InChI InChI=1S/C16H17NO4/c1-19-14-8-11-5-6-17(10-12(11)9-15(14)20-2)16(18)13-4-3-7-21-13/h3-4,7-9H,5-6,10H2,1-2H3
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n/an/an/an/a 1.11E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43453
PNG
(MLS000729576 | N-(2-chloranylpyridin-3-yl)-4-[4-(3...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccnc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H20ClF3N4O5S/c1-34-16-8-7-13(11-17(16)35-2)15-12-18(22(24,25)26)30-21(29-15)36(32,33)10-4-6-19(31)28-14-5-3-9-27-20(14)23/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,28,31)
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n/an/an/an/a 2.50E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43455
PNG
(2-keto-3,8-dimethyl-N-(1-methyl-3-phenyl-propyl)-1...)
Show InChI InChI=1S/C22H29NO3/c1-15-11-13-22(14-12-15)19(17(3)21(25)26-22)20(24)23-16(2)9-10-18-7-5-4-6-8-18/h4-8,15-16H,9-14H2,1-3H3,(H,23,24)
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n/an/an/an/a 7.83E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43476
PNG
(1-methyl-4-[(2,3,4,5-tetrachloro-1-cyclopenta-2,4-...)
Show SMILES Cc1ccc(C=C2C(Cl)=C(Cl)C(Cl)=C2Cl)cc1
Show InChI InChI=1S/C13H8Cl4/c1-7-2-4-8(5-3-7)6-9-10(14)12(16)13(17)11(9)15/h2-6H,1H3
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n/an/an/an/a 780n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43477
PNG
(1,4-Pentadien-3-one, 1,5-di-3-pyridyl- | 1,5-bis(3...)
Show SMILES O=C(C=Cc1cccnc1)C=Cc1cccnc1
Show InChI InChI=1S/C15H12N2O/c18-15(7-5-13-3-1-9-16-11-13)8-6-14-4-2-10-17-12-14/h1-12H
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n/an/an/an/a 1.86E+6n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43483
PNG
((3aS,5R,5aR,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,...)
Show SMILES C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1C=CC2=O
Show InChI InChI=1S/C15H18O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h4-5,8,10-12H,2,6-7H2,1,3H3/t8-,10-,11+,12+,15+/m1/s1
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n/an/an/an/a 590n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43491
PNG
((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...)
Show SMILES COc1cc(\C=C2/COC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC
Show InChI InChI=1S/C25H28O8/c1-27-19-9-15(10-20(28-2)24(19)31-5)7-17-13-33-14-18(23(17)26)8-16-11-21(29-3)25(32-6)22(12-16)30-4/h7-12H,13-14H2,1-6H3/b17-7+,18-8+
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n/an/an/an/a 1.82E+5n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43496
PNG
(MLS000877506 | SMR000463798 | cid_16745983)
Show SMILES CN1C(CC2Cn3c(nc4cc5ccccc5cc34)C12)C(=O)NCc1cccc(Br)c1
Show InChI InChI=1S/C25H23BrN4O/c1-29-22(25(31)27-13-15-5-4-8-19(26)9-15)12-18-14-30-21-11-17-7-3-2-6-16(17)10-20(21)28-24(30)23(18)29/h2-11,18,22-23H,12-14H2,1H3,(H,27,31)
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n/an/an/an/a 1.11E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43344
PNG
(7-({Cyclopentyl-[1-(tetrahydro-furan-2-ylmethyl)-1...)
Show SMILES O=c1[nH]c2cc3OCOc3cc2cc1CN(Cc1nnnn1CC1CCCO1)C1CCCC1
Show InChI InChI=1S/C23H28N6O4/c30-23-16(8-15-9-20-21(33-14-32-20)10-19(15)24-23)11-28(17-4-1-2-5-17)13-22-25-26-27-29(22)12-18-6-3-7-31-18/h8-10,17-18H,1-7,11-14H2,(H,24,30)
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n/an/an/an/a 4.72E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43346
PNG
(1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-...)
Show SMILES COc1ccccc1N1CCN(CC1)C(c1nnnn1C(C)C)c1ccc(C)cc1
Show InChI InChI=1S/C23H30N6O/c1-17(2)29-23(24-25-26-29)22(19-11-9-18(3)10-12-19)28-15-13-27(14-16-28)20-7-5-6-8-21(20)30-4/h5-12,17,22H,13-16H2,1-4H3
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n/an/an/an/a 1.46E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43362
PNG
(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Show SMILES CN(C)C(=S)SSC(=S)N(C)C
Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
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n/an/an/an/a 180n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43374
PNG
(5-Isopropylidene-2-[4-(3-trifluoromethyl-phenyl)-p...)
Show SMILES CC(=C)c1sc(nc1O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3OS/c1-11(2)14-15(24)21-16(25-14)23-8-6-22(7-9-23)13-5-3-4-12(10-13)17(18,19)20/h3-5,10,24H,1,6-9H2,2H3
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n/an/an/an/a 1.87E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43378
PNG
(MLS000567237 | N-(phenylmethyl)-2-(4-pyrimidin-2-y...)
Show SMILES O=C(CN1CCN(CC1)c1ncccn1)NCc1ccccc1
Show InChI InChI=1S/C17H21N5O/c23-16(20-13-15-5-2-1-3-6-15)14-21-9-11-22(12-10-21)17-18-7-4-8-19-17/h1-8H,9-14H2,(H,20,23)
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n/an/an/an/a 3.40E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43406
PNG
(1,3-Diethyl-5-((E)-3-furan-2-yl-allylidene)-2-thio...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=C\C=C\c2ccco2)C1=O
Show InChI InChI=1S/C15H16N2O3S/c1-3-16-13(18)12(14(19)17(4-2)15(16)21)9-5-7-11-8-6-10-20-11/h5-10H,3-4H2,1-2H3/b7-5+
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n/an/an/an/a 2.50E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43416
PNG
(MLS000375336 | N-[1-(1-adamantyl)ethyl]-2-(4,5-dic...)
Show SMILES CC(NC(=O)Cn1ncc(Cl)c(Cl)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H23Cl2N3O2/c1-10(18-5-11-2-12(6-18)4-13(3-11)7-18)22-15(24)9-23-17(25)16(20)14(19)8-21-23/h8,10-13H,2-7,9H2,1H3,(H,22,24)
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n/an/an/an/a 1.55E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43420
PNG
((2,3-dimethylphenyl)-[5-(tetrahydropyran-2-ylmethy...)
Show SMILES Cc1cccc(Nc2nnc(SCC3CCCCO3)s2)c1C
Show InChI InChI=1S/C16H21N3OS2/c1-11-6-5-8-14(12(11)2)17-15-18-19-16(22-15)21-10-13-7-3-4-9-20-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,17,18)
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n/an/an/an/a 1.24E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43433
PNG
(4-chloranyl-N-[2-(cyclohexen-1-yl)ethyl]-3-nitro-b...)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C(=O)NCCC1=CCCCC1
Show InChI InChI=1S/C15H17ClN2O3/c16-13-7-6-12(10-14(13)18(20)21)15(19)17-9-8-11-4-2-1-3-5-11/h4,6-7,10H,1-3,5,8-9H2,(H,17,19)
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n/an/an/an/a 7.21E+6n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43437
PNG
((6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl)...)
Show SMILES Cc1cc(OC(=O)c2ccccc2)c([N+]([O-])=O)c(=O)[nH]1
Show InChI InChI=1S/C13H10N2O5/c1-8-7-10(11(15(18)19)12(16)14-8)20-13(17)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,16)
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n/an/an/an/a 10n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43450
PNG
(6-chloranyl-N-cyclohexyl-N-[2-(cyclohexylamino)-2-...)
Show SMILES Clc1ccc(cn1)C(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)C1CCCCC1
Show InChI InChI=1S/C25H31ClN4O2/c26-22-14-13-19(17-28-22)25(32)30(21-11-5-2-6-12-21)23(18-8-7-15-27-16-18)24(31)29-20-9-3-1-4-10-20/h7-8,13-17,20-21,23H,1-6,9-12H2,(H,29,31)
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n/an/an/an/a 1.27E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43451
PNG
(4-(diacetylamino)-3-phenyl-2-sulfanylidene-5-thiaz...)
Show SMILES CCOC(=O)c1sc(=S)n(c1N(C(C)=O)C(C)=O)-c1ccccc1
Show InChI InChI=1S/C16H16N2O4S2/c1-4-22-15(21)13-14(17(10(2)19)11(3)20)18(16(23)24-13)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
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n/an/an/an/a 290n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43452
PNG
(6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-4-(4-me...)
Show SMILES COc1ccc(cc1)C1C(C(=O)N2CCN(C)CC2)c2cc(OC)c(OC)cc2C(=O)N1C
Show InChI InChI=1S/C25H31N3O5/c1-26-10-12-28(13-11-26)25(30)22-18-14-20(32-4)21(33-5)15-19(18)24(29)27(2)23(22)16-6-8-17(31-3)9-7-16/h6-9,14-15,22-23H,10-13H2,1-5H3
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n/an/an/an/a 2.94E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43464
PNG
(MLS000755897 | N'-[3-chloro-5-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NN(C)c1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H13ClF3N3O3S/c1-21(13-12(15)7-9(8-19-13)14(16,17)18)20-25(22,23)11-5-3-10(24-2)4-6-11/h3-8,20H,1-2H3
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n/an/an/an/a 380n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43475
PNG
(4-amino-2-[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]...)
Show SMILES Nc1cccc2C(=O)N(C(=O)\C=C\c3cccc(Br)c3)C(=O)c12
Show InChI InChI=1S/C17H11BrN2O3/c18-11-4-1-3-10(9-11)7-8-14(21)20-16(22)12-5-2-6-13(19)15(12)17(20)23/h1-9H,19H2/b8-7+
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n/an/an/an/a 7.82E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43490
PNG
((E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-fl...)
Show SMILES Cc1cc(C)nc(S\C=C\C(=O)c2ccc(F)cc2)n1
Show InChI InChI=1S/C15H13FN2OS/c1-10-9-11(2)18-15(17-10)20-8-7-14(19)12-3-5-13(16)6-4-12/h3-9H,1-2H3/b8-7+
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n/an/an/an/a 810n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43494
PNG
(2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)CSC2=NNC(S2)c2ccccn2)cc1
Show InChI InChI=1S/C16H13F3N4OS2/c17-16(18,19)10-4-6-11(7-5-10)21-13(24)9-25-15-23-22-14(26-15)12-3-1-2-8-20-12/h1-8,14,22H,9H2,(H,21,24)
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n/an/an/an/a 4.32E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43347
PNG
(Adamantane-1-carboxylic acid [6-(cyclopropanecarbo...)
Show SMILES Cc1cc(NC(=O)C2CC2)ncc1NC(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H27N3O2/c1-12-4-18(24-19(25)16-2-3-16)22-11-17(12)23-20(26)21-8-13-5-14(9-21)7-15(6-13)10-21/h4,11,13-16H,2-3,5-10H2,1H3,(H,23,26)(H,22,24,25)
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n/an/an/an/a 1.57E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43348
PNG
(6-(methoxymethyl)-2-[(6-methyl-1,3-benzoxazol-2-yl...)
Show SMILES COCc1cc(=O)[nH]c(Nc2nc3ccc(C)cc3o2)n1
Show InChI InChI=1S/C14H14N4O3/c1-8-3-4-10-11(5-8)21-14(16-10)18-13-15-9(7-20-2)6-12(19)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17,18,19)
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n/an/an/an/a 560n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43351
PNG
(5-methyl-2-pyrazinecarboxylic acid [2-[2-(3,4-dime...)
Show SMILES COc1ccc(CCNC(=O)COC(=O)c2cnc(C)cn2)cc1OC
Show InChI InChI=1S/C18H21N3O5/c1-12-9-21-14(10-20-12)18(23)26-11-17(22)19-7-6-13-4-5-15(24-2)16(8-13)25-3/h4-5,8-10H,6-7,11H2,1-3H3,(H,19,22)
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n/an/an/an/a 170n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43355
PNG
(2-amino-4-(3-hydroxyphenyl)-5,6,7,8,9,10-hexahydro...)
Show SMILES Nc1nc2CCCCCCc2c(-c2cccc(O)c2)c1C#N
Show InChI InChI=1S/C18H19N3O/c19-11-15-17(12-6-5-7-13(22)10-12)14-8-3-1-2-4-9-16(14)21-18(15)20/h5-7,10,22H,1-4,8-9H2,(H2,20,21)
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n/an/an/an/a 1.38E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43363
PNG
(2,5-bis(chloranyl)-3-piperidin-1-yl-6-(2-piperidin...)
Show SMILES ClC1=C(N2CCCCC2)C(=O)C(Cl)=C(c2cnc(s2)N2CCCCC2)C1=O
Show InChI InChI=1S/C19H21Cl2N3O2S/c20-14-13(12-11-22-19(27-12)24-9-5-2-6-10-24)17(25)15(21)16(18(14)26)23-7-3-1-4-8-23/h11H,1-10H2
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n/an/an/an/a 2.42E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM41591
PNG
((Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3...)
Show SMILES COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(C)cc2)cn1
Show InChI InChI=1S/C17H16Cl2N2O3S/c1-11-3-5-12(6-4-11)10-25(23)16(19)15(18)17(22)21-13-7-8-14(24-2)20-9-13/h3-9H,10H2,1-2H3,(H,21,22)
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n/an/an/an/a 960n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43391
PNG
(3-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-phenyl-...)
Show SMILES CN(C(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1)c1ccccc1
Show InChI InChI=1S/C21H17Cl2NO2/c1-24(18-8-3-2-4-9-18)21(25)16-7-5-6-15(12-16)14-26-20-11-10-17(22)13-19(20)23/h2-13H,14H2,1H3
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n/an/an/an/a 160n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43430
PNG
(MLS000676810 | N-(2-cyclohexylsulfanylethyl)-4-met...)
Show SMILES COc1ccc(cc1)C(=O)NCCSC1CCCCC1
Show InChI InChI=1S/C16H23NO2S/c1-19-14-9-7-13(8-10-14)16(18)17-11-12-20-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,17,18)
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n/an/an/an/a 1.36E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43456
PNG
(3-methyl-N-1-naphthyl-1-phenyl-1H-pyrazole-5-carbo...)
Show SMILES Cc1cc(C(=O)Nc2cccc3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C21H17N3O/c1-15-14-20(24(23-15)17-10-3-2-4-11-17)21(25)22-19-13-7-9-16-8-5-6-12-18(16)19/h2-14H,1H3,(H,22,25)
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n/an/an/an/a 2.50E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43458
PNG
(MLS000678468 | N-cyclopentyl-2-[6-(furan-2-yl)pyri...)
Show SMILES O=C(CSc1ccc(nn1)-c1ccco1)NC1CCCC1
Show InChI InChI=1S/C15H17N3O2S/c19-14(16-11-4-1-2-5-11)10-21-15-8-7-12(17-18-15)13-6-3-9-20-13/h3,6-9,11H,1-2,4-5,10H2,(H,16,19)
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n/an/an/an/a 750n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43462
PNG
(2-[[(1-methyl-4-quinolinylidene)amino]methylidene]...)
Show SMILES Cn1cc\c(=N/C=C(C#N)C#N)c2ccccc12
Show InChI InChI=1S/C14H10N4/c1-18-7-6-13(17-10-11(8-15)9-16)12-4-2-3-5-14(12)18/h2-7,10H,1H3/b17-13+
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n/an/an/an/a 3.98E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM42463
PNG
(MLS000876953 | SMR000440607 | cid_122811)
Show SMILES C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](C=CC[C@H](C)C=C(C)[C@@H](O)C(=O)C=CC2=O)[C@@H]2O[C@]12C
Show InChI InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43482
PNG
(Helenalin acetate | MLS000728543 | SMR000445656 | ...)
Show SMILES C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O
Show InChI InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15+,17+/m1/s1
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n/an/an/an/a 7.68E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43484
PNG
((3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methyliden...)
Show SMILES C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O
Show InChI InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1
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n/an/an/an/a 420n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM43486
PNG
(CMLD003472 | MLS000829704 | SMR000452979 | cid_167...)
Show SMILES COC(=O)[C@@H]1C[C@@]23[C@@H](N(C)c4ccc(OC)cc24)C(C(=O)OC)=C(NC3=N1)C(=O)OC
Show InChI InChI=1S/C21H23N3O7/c1-24-13-7-6-10(28-2)8-11(13)21-9-12(17(25)29-3)22-20(21)23-15(19(27)31-5)14(16(21)24)18(26)30-4/h6-8,12,16H,9H2,1-5H3,(H,22,23)/t12-,16-,21-/m0/s1
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n/an/an/an/a 1.09E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%