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PubChem AID 2841

Compile Data Set for Download or QSAR

Found 940 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
DNA damage-inducible transcript 3 protein


(Mus musculus)		BDBM61541
PNG
((Z)-2,3-bis(chloranyl)-3-[(2-chlorophenyl)methylsu...)
Show SMILES COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2Cl)cn1 |w:11.11|
Show InChI InChI=1S/C16H13Cl3N2O3S/c1-24-13-7-6-11(8-20-13)21-16(22)14(18)15(19)25(23)9-10-4-2-3-5-12(10)17/h2-8H,9H2,1H3,(H,21,22)
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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)		BDBM41599
PNG
((E)-[1-[4-(4-chlorobenzyl)oxyphenyl]-2,5-dimethyl-...)
Show SMILES Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 |w:5.5|
Show InChI InChI=1S/C22H20ClN5O/c1-16-11-19(12-26-27-14-24-25-15-27)17(2)28(16)21-7-9-22(10-8-21)29-13-18-3-5-20(23)6-4-18/h3-12,14-15H,13H2,1-2H3
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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)		BDBM68151
PNG
(4-amino-2-[(E)-3-(3-fluorophenyl)-1-oxoprop-2-enyl...)
Show SMILES Nc1cccc2C(=O)N(C(=O)\C=C\c3cccc(F)c3)C(=O)c12
Show InChI InChI=1S/C17H11FN2O3/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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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)		BDBM44487
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES CCOc1ccc(\C=C\C2=Cc3c(C#N)c(NC(=O)CSc4nnc(N)[nH]4)sc3C(C)(C)C2)cc1 |t:9|
Show InChI InChI=1S/C25H26N6O2S2/c1-4-33-17-9-7-15(8-10-17)5-6-16-11-18-19(13-26)22(35-21(18)25(2,3)12-16)28-20(32)14-34-24-29-23(27)30-31-24/h5-11H,4,12,14H2,1-3H3,(H,28,32)(H3,27,29,30,31)/b6-5+
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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)		BDBM68150
PNG
(4-[4-(2-methylbutan-2-yl)phenoxy]aniline | MLS0010...)
Show SMILES CCC(C)(C)c1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1S/C17H21NO/c1-4-17(2,3)13-5-9-15(10-6-13)19-16-11-7-14(18)8-12-16/h5-12H,4,18H2,1-3H3
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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)		BDBM68062
PNG
(MLS000335164 | N-cyclopropyl-5-[1-(2-fluorophenyl)...)
Show SMILES Cc1cc(c(C)n1-c1ccccc1F)C1=NN=C(NC2CC2)SC1 |t:16,18,(8.87,4.61,;7.96,3.37,;8.44,1.9,;7.19,1,;5.95,1.9,;4.48,1.43,;6.42,3.37,;5.52,4.61,;3.99,4.45,;3.08,5.7,;3.71,7.11,;5.24,7.27,;6.14,6.02,;7.67,6.18,;7.19,-.54,;8.53,-1.31,;8.53,-2.85,;7.19,-3.62,;7.19,-5.16,;8.53,-5.93,;9.3,-7.27,;10.07,-5.93,;5.86,-2.85,;5.86,-1.31,)|
Show InChI InChI=1S/C18H19FN4S/c1-11-9-14(12(2)23(11)17-6-4-3-5-15(17)19)16-10-24-18(22-21-16)20-13-7-8-13/h3-6,9,13H,7-8,10H2,1-2H3,(H,20,22)
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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)		BDBM66400
PNG
((E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-methoxypheny...)
Show SMILES COc1ccc(NC(=S)NC(NC(=O)C=Cc2ccccc2)C(Cl)(Cl)Cl)cc1 |w:14.13|
Show InChI InChI=1S/C19H18Cl3N3O2S/c1-27-15-10-8-14(9-11-15)23-18(28)25-17(19(20,21)22)24-16(26)12-7-13-5-3-2-4-6-13/h2-12,17H,1H3,(H,24,26)(H2,23,25,28)
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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)		BDBM68010
PNG
((2Z,6E)-4-tert-butyl-2,6-bis(2-furanylmethylidene)...)
Show SMILES CC(C)(C)C1C\C(=C\c2ccco2)C(=O)\C(C1)=C\c1ccco1
Show InChI InChI=1S/C20H22O3/c1-20(2,3)16-10-14(12-17-6-4-8-22-17)19(21)15(11-16)13-18-7-5-9-23-18/h4-9,12-13,16H,10-11H2,1-3H3/b14-12-,15-13+
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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)		BDBM64626
PNG
(2-Chloro-N-[2,2,2-trifluoro-1-(6-nitro-benzothiazo...)
Show SMILES [O-][N+](=O)c1ccc2nc(NC(NC(=O)c3ccccc3Cl)(C(F)(F)F)C(F)(F)F)sc2c1
Show InChI InChI=1S/C17H9ClF6N4O3S/c18-10-4-2-1-3-9(10)13(29)26-15(16(19,20)21,17(22,23)24)27-14-25-11-6-5-8(28(30)31)7-12(11)32-14/h1-7H,(H,25,27)(H,26,29)
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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)		BDBM66502
PNG
((2Z,6E)-4-tert-butyl-2,6-bis(2-pyridinylmethyliden...)
Show SMILES CC(C)(C)C1C\C(=C\c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C22H24N2O/c1-22(2,3)18-12-16(14-19-8-4-6-10-23-19)21(25)17(13-18)15-20-9-5-7-11-24-20/h4-11,14-15,18H,12-13H2,1-3H3/b16-14-,17-15+
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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)		BDBM63568
PNG
(2-({[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]me...)
Show SMILES CCc1ccc(cc1)-c1nc(CSCC(=O)NCc2ccco2)c(C)o1
Show InChI InChI=1S/C20H22N2O3S/c1-3-15-6-8-16(9-7-15)20-22-18(14(2)25-20)12-26-13-19(23)21-11-17-5-4-10-24-17/h4-10H,3,11-13H2,1-2H3,(H,21,23)
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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)		BDBM61626
PNG
(MLS000777252 | N-(4-Hydroxy-phenyl)-4-{4-oxo-2-thi...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C21H20N2O3S2/c1-14-4-6-15(7-5-14)13-18-20(26)23(21(27)28-18)12-2-3-19(25)22-16-8-10-17(24)11-9-16/h4-11,13,24H,2-3,12H2,1H3,(H,22,25)/b18-13-
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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)		BDBM67717
PNG
(8-[(4-chlorobenzyl)thio]-7-isoamyl-3-methyl-xanthi...)
Show SMILES CC(C)CCn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C18H21ClN4O2S/c1-11(2)8-9-23-14-15(22(3)17(25)21-16(14)24)20-18(23)26-10-12-4-6-13(19)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,21,24,25)
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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)		BDBM68172
PNG
(4-(dichloromethyl)-2-(4-nitrophenyl)quinazoline | ...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(C(Cl)Cl)c2ccccc2n1
Show InChI InChI=1S/C15H9Cl2N3O2/c16-14(17)13-11-3-1-2-4-12(11)18-15(19-13)9-5-7-10(8-6-9)20(21)22/h1-8,14H
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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)		BDBM39024
PNG
(3-[(2-chloro-4-methylol-phenoxy)methyl]benzoic aci...)
Show SMILES OCc1ccc(OCc2cccc(c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C15H13ClO4/c16-13-7-10(8-17)4-5-14(13)20-9-11-2-1-3-12(6-11)15(18)19/h1-7,17H,8-9H2,(H,18,19)
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Emory University Molecular Libraries Screening Center

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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)		BDBM67862
PNG
(1-(2-chlorobenzyl)-N-[5-(1-ethylpropyl)-1,3,4-thia...)
Show SMILES CCC(CC)c1nnc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)s1
Show InChI InChI=1S/C20H24ClN5OS/c1-5-14(6-2)19-23-24-20(28-19)22-18(27)17-12(3)25-26(13(17)4)11-15-9-7-8-10-16(15)21/h7-10,14H,5-6,11H2,1-4H3,(H,22,24,27)
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Emory University Molecular Libraries Screening Center

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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)		BDBM68061
PNG
(MLS000388719 | N-ethyl-5-[1-(2-furanylmethyl)-2,5-...)
Show SMILES CCNC1=NN=C(CS1)c1cc(C)n(Cc2ccco2)c1C |c:5,t:3|
Show InChI InChI=1S/C16H20N4OS/c1-4-17-16-19-18-15(10-22-16)14-8-11(2)20(12(14)3)9-13-6-5-7-21-13/h5-8H,4,9-10H2,1-3H3,(H,17,19)
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Emory University Molecular Libraries Screening Center

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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)		BDBM63866
PNG
(Bruceolide | MLS000728513 | SMR000445627 | cid_167...)
Show SMILES [H][C@]12[C@@H](O)C(=O)O[C@]3([H])C[C@@]4([H])C(C)=C(O)C(=O)C[C@@]4(C)C4C(O)[C@H](O)[C@@]1(OC[C@@]234)C(=O)OC |t:13|
Show InChI InChI=1S/C21H26O10/c1-7-8-4-10-20-6-30-21(18(28)29-3,15(20)13(25)17(27)31-10)16(26)12(24)14(20)19(8,2)5-9(22)11(7)23/h8,10,12-16,23-26H,4-6H2,1-3H3/t8-,10+,12?,13+,14?,15+,16-,19+,20+,21+/m0/s1
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Emory University Molecular Libraries Screening Center

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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)		BDBM65549
PNG
(3-[[4-[2-(3-chloroanilino)-4-pyrimidinyl]-2-pyridi...)
Show SMILES OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)
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Emory University Molecular Libraries Screening Center

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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)		BDBM38956
PNG
(2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]m...)
Show SMILES CCOc1ccc(cc1)-c1nc(CSCC(=O)NCc2ccco2)c(C)o1
Show InChI InChI=1S/C20H22N2O4S/c1-3-24-16-8-6-15(7-9-16)20-22-18(14(2)26-20)12-27-13-19(23)21-11-17-5-4-10-25-17/h4-10H,3,11-13H2,1-2H3,(H,21,23)
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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)		BDBM52406
PNG
(4-[(5Z)-5-(4-ethylbenzylidene)-4-keto-2-thioxo-thi...)
Show SMILES CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1
Show InChI InChI=1S/C21H21N3O2S2/c1-2-15-8-10-16(11-9-15)14-17-20(26)24(21(27)28-17)13-5-7-19(25)23-18-6-3-4-12-22-18/h3-4,6,8-12,14H,2,5,7,13H2,1H3,(H,22,23,25)/b17-14-
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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)		BDBM62439
PNG
(MLS000570595 | N'-[3-(1,3-benzodioxol-5-yl)-2-...)
Show SMILES Cc1cccc(OCC(=O)NN=C\C=C\c2ccc3OCOc3c2)c1C
Show InChI InChI=1S/C20H20N2O4/c1-14-5-3-7-17(15(14)2)24-12-20(23)22-21-10-4-6-16-8-9-18-19(11-16)26-13-25-18/h3-11H,12-13H2,1-2H3,(H,22,23)/b6-4+,21-10?
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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)		BDBM50213
PNG
(3-Hydroxy-naphthalene-2-carboxylic acid (1-benzyl-...)
Show SMILES Oc1cc2ccccc2cc1C(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H19N3O3/c30-23-15-19-11-5-4-10-18(19)14-21(23)25(31)28-27-24-20-12-6-7-13-22(20)29(26(24)32)16-17-8-2-1-3-9-17/h1-15,30H,16H2,(H,28,31)/b27-24-
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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)		BDBM64806
PNG
(MLS-0310259.0001 | N-(4-hydroxyphenyl)-4-[(5E)-4-k...)
Show SMILES COc1ccc(\C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
Show InChI InChI=1S/C21H20N2O4S2/c1-27-17-10-4-14(5-11-17)13-18-20(26)23(21(28)29-18)12-2-3-19(25)22-15-6-8-16(24)9-7-15/h4-11,13,24H,2-3,12H2,1H3,(H,22,25)/b18-13+
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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)		BDBM68139
PNG
(MLS000621996 | N-[3-[4-(2-fluorophenyl)-1-piperazi...)
Show SMILES Fc1ccccc1N1CCN(CCCNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc34)n2)CC1
Show InChI InChI=1S/C26H28FN7OS2/c27-20-7-2-4-9-22(20)34-14-12-33(13-15-34)11-5-10-28-23(35)16-18-17-37-26(29-18)32-24-19-6-1-3-8-21(19)30-25(36)31-24/h1-4,6-9,17H,5,10-16H2,(H,28,35)(H2,29,30,31,32,36)
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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)		BDBM67846
PNG
(2,7-Bis-(4-methyl-piperidine-1-sulfonyl)-fluoren-9...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc-2c(c1)C(N=O)c1cc(ccc-21)S(=O)(=O)N1CCC(C)CC1
Show InChI InChI=1S/C25H31N3O5S2/c1-17-7-11-27(12-8-17)34(30,31)19-3-5-21-22-6-4-20(16-24(22)25(26-29)23(21)15-19)35(32,33)28-13-9-18(2)10-14-28/h3-6,15-18,25H,7-14H2,1-2H3
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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)		BDBM67903
PNG
((4-chlorophenyl)(4-{[(2,4-dichlorophenyl)sulfanyl]...)
Show SMILES OC1(CSc2ccc(Cl)cc2Cl)CCN(CC1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18Cl3NO2S/c20-14-3-1-13(2-4-14)18(24)23-9-7-19(25,8-10-23)12-26-17-6-5-15(21)11-16(17)22/h1-6,11,25H,7-10,12H2
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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)		BDBM68194
PNG
(3-[4-[(2,5-difluorobenzyl)amino]-3-nitro-phenyl]-3...)
Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2cc(F)ccc2F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H24F2N4O4/c29-21-9-10-23(30)20(12-21)16-32-24-11-8-19(13-26(24)34(37)38)25(15-27(31)35)33-28(36)14-18-6-3-5-17-4-1-2-7-22(17)18/h1-13,25,32H,14-16H2,(H2,31,35)(H,33,36)
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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)		BDBM54739
PNG
(3-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-1-(4-m...)
Show SMILES COc1ccc(cc1)-n1c(O)cc(Sc2nnnn2-c2ccc(F)cc2)c1O
Show InChI InChI=1S/C18H14FN5O3S/c1-27-14-8-6-12(7-9-14)23-16(25)10-15(17(23)26)28-18-20-21-22-24(18)13-4-2-11(19)3-5-13/h2-10,25-26H,1H3
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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)		BDBM39089
PNG
(2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5...)
Show SMILES Nc1ccc2oc(nc2c1)-c1cc(Br)ccc1Cl
Show InChI InChI=1S/C13H8BrClN2O/c14-7-1-3-10(15)9(5-7)13-17-11-6-8(16)2-4-12(11)18-13/h1-6H,16H2
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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)		BDBM68017
PNG
(2-(4-methylanilino)-N-[(3-phenoxyphenyl)methyliden...)
Show SMILES Cc1ccc(NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H21N3O2/c1-17-10-12-19(13-11-17)23-16-22(26)25-24-15-18-6-5-9-21(14-18)27-20-7-3-2-4-8-20/h2-15,23H,16H2,1H3,(H,25,26)
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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)		BDBM59973
PNG
(4-[(5Z)-2,4-diketo-5-[(E)-2-methyl-3-phenyl-prop-2...)
Show SMILES C\C(\C=C1/SC(=O)N(CCCC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C17H17NO4S/c1-12(10-13-6-3-2-4-7-13)11-14-16(21)18(17(22)23-14)9-5-8-15(19)20/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20)/b12-10+,14-11-
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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)		BDBM68185
PNG
(1-(tert-butyl)-4-[({[(4-chloroanilino)carbonyl]oxy...)
Show SMILES Cc1nn(c(C)c1C=NOC(=O)Nc1ccc(Cl)cc1)C(C)(C)C |w:8.9|
Show InChI InChI=1S/C17H21ClN4O2/c1-11-15(12(2)22(21-11)17(3,4)5)10-19-24-16(23)20-14-8-6-13(18)7-9-14/h6-10H,1-5H3,(H,20,23)
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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)		BDBM68036
PNG
((E)-3-(5-nitro-2-thienyl)-N-(o-tolyl)acrylamide | ...)
Show SMILES Cc1ccccc1NC(=O)\C=C\c1ccc(s1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O3S/c1-10-4-2-3-5-12(10)15-13(17)8-6-11-7-9-14(20-11)16(18)19/h2-9H,1H3,(H,15,17)/b8-6+
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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)		BDBM38917
PNG
(3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]pro...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(N)=O)n1
Show InChI InChI=1S/C15H19N3O2/c1-15(2,3)11-6-4-10(5-7-11)14-17-13(20-18-14)9-8-12(16)19/h4-7H,8-9H2,1-3H3,(H2,16,19)
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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)		BDBM50306
PNG
((4,6-difluoro-1,3-benzothiazol-2-yl)-([1,3]dioxolo...)
Show SMILES Fc1cc(F)c2nc(Nc3nc4cc5OCOc5cc4s3)sc2c1
Show InChI InChI=1S/C15H7F2N3O2S2/c16-6-1-7(17)13-12(2-6)24-15(19-13)20-14-18-8-3-9-10(22-5-21-9)4-11(8)23-14/h1-4H,5H2,(H,18,19,20)
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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)		BDBM44170
PNG
(2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-...)
Show SMILES CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(O)=O
Show InChI InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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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)		BDBM63711
PNG
(MLS001002830 | N-[3-(dimethylsulfamoyl)-4-methyl-p...)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1C
Show InChI InChI=1S/C19H18N2O5S/c1-12-8-9-14(11-17(12)27(24,25)21(2)3)20-18(22)15-10-13-6-4-5-7-16(13)26-19(15)23/h4-11H,1-3H3,(H,20,22)
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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)		BDBM68024
PNG
(2-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazoly...)
Show SMILES COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2ccc(C)cc2O)cc1OC |w:20.21|
Show InChI InChI=1S/C26H26N4O4/c1-17-8-10-19(22(31)12-17)15-27-29-26(32)16-30-21-7-5-4-6-20(21)28-25(30)14-18-9-11-23(33-2)24(13-18)34-3/h4-13,15,31H,14,16H2,1-3H3,(H,29,32)
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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)		BDBM67938
PNG
(5-bromo-2-(4-methylbenzyl)oxy-benzaldoxime | 5-bro...)
Show SMILES Cc1ccc(COc2ccc(Br)cc2CN=O)cc1
Show InChI InChI=1S/C15H14BrNO2/c1-11-2-4-12(5-3-11)10-19-15-7-6-14(16)8-13(15)9-17-18/h2-8H,9-10H2,1H3
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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)		BDBM68006
PNG
(Biphenyl-4-carboxylic acid N'-(naphthalene-1-c...)
Show SMILES O=C(NNC(=O)c1cccc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H18N2O2/c27-23(20-15-13-18(14-16-20)17-7-2-1-3-8-17)25-26-24(28)22-12-6-10-19-9-4-5-11-21(19)22/h1-16H,(H,25,27)(H,26,28)
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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)		BDBM63909
PNG
(3-[[4-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyrimi...)
Show SMILES OCCCNc1nccc(n1)-c1cc(Nc2cccc(Cl)c2)ncn1
Show InChI InChI=1S/C17H17ClN6O/c18-12-3-1-4-13(9-12)23-16-10-15(21-11-22-16)14-5-7-20-17(24-14)19-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,19,20,24)(H,21,22,23)
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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)		BDBM67919
PNG
(1-[4-(2,4-Dichloro-benzyloxy)-phenyl]-3-phenyl-thi...)
Show SMILES Clc1ccc(COc2ccc(NC(=S)Nc3ccccc3)cc2)c(Cl)c1
Show InChI InChI=1S/C20H16Cl2N2OS/c21-15-7-6-14(19(22)12-15)13-25-18-10-8-17(9-11-18)24-20(26)23-16-4-2-1-3-5-16/h1-12H,13H2,(H2,23,24,26)
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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)		BDBM61534
PNG
(2-furfuryl-[2-(p-toluidino)quinazolin-4-yl]amine;h...)
Show SMILES Cc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H18N4O/c1-14-8-10-15(11-9-14)22-20-23-18-7-3-2-6-17(18)19(24-20)21-13-16-5-4-12-25-16/h2-12H,13H2,1H3,(H2,21,22,23,24)
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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)		BDBM67724
PNG
((3-methoxyphenyl)-[1-(m-tolyl)pyrazolo[3,4-d]pyrim...)
Show SMILES COc1cccc(Nc2ncnc3n(ncc23)-c2cccc(C)c2)c1
Show InChI InChI=1S/C19H17N5O/c1-13-5-3-7-15(9-13)24-19-17(11-22-24)18(20-12-21-19)23-14-6-4-8-16(10-14)25-2/h3-12H,1-2H3,(H,20,21,23)
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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)		BDBM68096
PNG
(3-(1-benzylpropyl)-2-thioxo-1H-quinazolin-4-one | ...)
Show SMILES CCC(Cc1ccccc1)n1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C18H18N2OS/c1-2-14(12-13-8-4-3-5-9-13)20-17(21)15-10-6-7-11-16(15)19-18(20)22/h3-11,14H,2,12H2,1H3,(H,19,22)
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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)		BDBM57635
PNG
(MLS000722278 | N-[2-(1H-benzimidazol-2-yl)phenyl]-...)
Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H14ClN3OS/c23-19-14-8-2-6-12-18(14)28-20(19)22(27)26-15-9-3-1-7-13(15)21-24-16-10-4-5-11-17(16)25-21/h1-12H,(H,24,25)(H,26,27)
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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)		BDBM33125
PNG
(2-[1-[(Z)-1-(4-methoxyphenyl)-3-oxidanylidene-3-th...)
Show SMILES COc1ccc(\C=C(/N2C=CC=CC2=C(C#N)C#N)C(=O)c2cccs2)cc1 |c:9,11|
Show InChI InChI=1S/C22H15N3O2S/c1-27-18-9-7-16(8-10-18)13-20(22(26)21-6-4-12-28-21)25-11-3-2-5-19(25)17(14-23)15-24/h2-13H,1H3/b20-13-
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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)		BDBM32337
PNG
(MLS000028832 | SMR000058536 | STAUROSPORINE | cid_...)
Show SMILES [H][C@]12C[C@H](NC)[C@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |TLB:13:12:11:6.3.2,19:35:11:6.3.2,THB:7:6:11:12.33.35.34,32:33:11:6.3.2,26:34:11:6.3.2|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20+,26-,28-/m0/s1
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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)		BDBM67822
PNG
(1-[2-(2,4-dichlorophenoxy)ethyl]-3-methyl-1,3-dihy...)
Show SMILES Cn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C16H14Cl2N2O2/c1-19-13-4-2-3-5-14(13)20(16(19)21)8-9-22-15-7-6-11(17)10-12(15)18/h2-7,10H,8-9H2,1H3
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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
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* indicates data uncertainty>20%