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134 molecules are shown

Wt: 269.7
BDBM43400Purchase		Wt: 481.4
BDBM43401Purchase		Wt: 316.3
BDBM43402Purchase		Wt: 437.8
BDBM43369Purchase		Wt: 405.4
BDBM43439Purchase
Wt: 323.4
BDBM43440Purchase		Wt: 413.4
BDBM43370Purchase		Wt: 394.5
BDBM43371Purchase		Wt: 312.3
BDBM43372Purchase		Wt: 320.3
BDBM43373Purchase
Wt: 341.3
BDBM43375Purchase		Wt: 421.4
BDBM43377Purchase		Wt: 311.3
BDBM43378Purchase		Wt: 458.8
BDBM43379Purchase		Wt: 445.4
BDBM43380Purchase
<<  First   |  Previous   |  Displayed 16 to 30 (of 134 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 43400,43401,43402,43369,43439,43440,43370,43371,43372,43373,43375,43377,43378,43379,43380   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		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
DNA damage-inducible transcript 3 protein


(Mus musculus)		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 |t:5|
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/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
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))		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))		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 |c:6|
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 |t:5|
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))		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))		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))		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))		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))		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))		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))		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))		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
Wee1-like protein kinase


(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 |t:5|
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>1.84E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CV4G4R
More data for this
Ligand-Target Pair
G2/mitotic-specific cyclin-B1


(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 |t:5|
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>1.84E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2833QDB
More data for this
Ligand-Target Pair
Transcription factor p65


(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 |t:5|
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 6.08E+6n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
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 |c:6|
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 4.10E+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/Q2KW5DG0
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 |t:5|
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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MMDB

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n/an/an/an/a 4.08E+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/Q2KW5DG0
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 |c:6|
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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MMDB

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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))		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 |t:5|
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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MMDB

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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
Nucleotide-binding oligomerization domain-containing protein 2


(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/a 3.13E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R8T
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1


(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 3.78E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair
Tumor necrosis factor


(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/a 1.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25M6443
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(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 |t:5|
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>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)		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/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)		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 |t:5|
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/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
X-box-binding protein 1


(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/a 1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
X-box-binding protein 1


(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 |t:5|
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/a 1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)		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/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
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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MMDB

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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