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PubChem AID 1444

Compile data set for download or QSAR
Found 40 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))
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 430n/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/Q2G73C3D
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 1.24E+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/Q2G73C3D
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 890n/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/Q2G73C3D
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 200n/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/Q2G73C3D
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 880n/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/Q2G73C3D
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 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/Q2G73C3D
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 2.26E+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/Q2G73C3D
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 1.09E+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/Q2G73C3D
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 3.04E+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/Q2G73C3D
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 5.00E+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/Q2G73C3D
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 2.53E+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/Q2G73C3D
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 60n/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/Q2G73C3D
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 4.05E+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/Q2G73C3D
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 5.00E+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/Q2G73C3D
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 50n/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/Q2G73C3D
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 3.66E+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/Q2G73C3D
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 720n/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/Q2G73C3D
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 480n/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/Q2G73C3D
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 400n/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/Q2G73C3D
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 3.13E+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/Q2G73C3D
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 410n/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/Q2G73C3D
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 1.06E+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/Q2G73C3D
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 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/Q2G73C3D
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 790n/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/Q2G73C3D
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 1.27E+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/Q2G73C3D
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 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/Q2G73C3D
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 1.69E+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/Q2G73C3D
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 540n/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/Q2G73C3D
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 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/Q2G73C3D
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 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/Q2G73C3D
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 1.73E+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/Q2G73C3D
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 1.50E+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/Q2G73C3D
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 1.65E+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/Q2G73C3D
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 1.81E+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/Q2G73C3D
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 1.75E+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/Q2G73C3D
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 1.87E+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/Q2G73C3D
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 2.32E+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/Q2G73C3D
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 580n/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/Q2G73C3D
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 1.48E+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/Q2G73C3D
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 9.93E+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/Q2G73C3D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%