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Compile Data Set for Download or QSAR

Found 1880 hits Enz. Inhib. hit(s) with Target = 'DNA damage-inducible transcript 3 protein' AND taxid = 10090   
Target
(Institution)
LigandTarget
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)
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

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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...


Citation and Details
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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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...


Citation and Details
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM63866
PNG
(Bruceolide | MLS000728513 | SMR000445627 | cid_167...)
Show SMILES COC(=O)[C@@]12OC[C@@]34[C@H]1[C@@H](O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@@]1(C)C4C(O)[C@@H]2O
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 (2011)

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

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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 (2011)

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

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


PubChem Bioassay (2011)

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

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


PubChem Bioassay (2011)

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


PubChem Bioassay (2011)

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
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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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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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
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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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

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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

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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

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


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


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


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More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM63866
PNG
(Bruceolide | MLS000728513 | SMR000445627 | cid_167...)
Show SMILES COC(=O)[C@@]12OC[C@@]34[C@H]1[C@@H](O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@@]1(C)C4C(O)[C@@H]2O
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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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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More data for this
Ligand-Target Pair
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
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

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


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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
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...


Citation and Details
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

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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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

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)

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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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)

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

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)

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 (2011)

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
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

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)

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
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 (2011)

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 (2011)

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 (2011)

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 (2011)

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
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 (2011)

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

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)

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
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 (2011)

More data for this
Ligand-Target Pair
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
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 (2011)

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 (2011)

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 (2011)

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 (2011)

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 (2011)

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 (2011)

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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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 (2011)

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...


Citation and Details
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 (2011)

More data for this
Ligand-Target Pair
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