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PubChem AID 1419

Compile Data Set for Download or QSAR

Found 835 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
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50816
PNG
(2-(2',5'-dioxo-1'-spiro[1,2-dihydroindene-3,4'-imi...)
Show SMILES COc1cc2c(cc1NC(=O)CN1C(=O)NC3(CCc4ccccc34)C1=O)oc1ccccc21
Show InChI InChI=1S/C26H21N3O5/c1-33-22-12-17-16-7-3-5-9-20(16)34-21(17)13-19(22)27-23(30)14-29-24(31)26(28-25(29)32)11-10-15-6-2-4-8-18(15)26/h2-9,12-13H,10-11,14H2,1H3,(H,27,30)(H,28,32)
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50929
PNG
((E)-1-(1-benzotriazolyl)-3-(4-propan-2-ylphenyl)-2...)
Show SMILES CC(C)c1ccc(\C=C\C(=O)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C18H17N3O/c1-13(2)15-10-7-14(8-11-15)9-12-18(22)21-17-6-4-3-5-16(17)19-20-21/h3-13H,1-2H3/b12-9+
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51230
PNG
(2-bromobenzoic acid (4-salicyloylazoanilino) ester...)
Show SMILES Oc1ccccc1C(=O)\N=N\c1ccc(NOC(=O)c2ccccc2Br)cc1
Show InChI InChI=1S/C20H14BrN3O4/c21-17-7-3-1-5-15(17)20(27)28-24-14-11-9-13(10-12-14)22-23-19(26)16-6-2-4-8-18(16)25/h1-12,24-25H/b23-22+
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51009
PNG
(2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfany...)
Show SMILES O=C(CSc1nnc(SCc2ccccc2)s1)NN=C\C=C/c1ccco1 |w:18.19|
Show InChI InChI=1S/C18H16N4O2S3/c23-16(20-19-10-4-8-15-9-5-11-24-15)13-26-18-22-21-17(27-18)25-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,23)/b8-4-,19-10?
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51219
PNG
((E)-3-(5-methyl-2-furanyl)-2-propenoic acid [4-ami...)
Show SMILES Cc1ccc(\C=C\C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)o1
Show InChI InChI=1S/C19H19N5O3/c1-12-5-3-4-6-15(12)21-19-23-16(22-18(20)24-19)11-26-17(25)10-9-14-8-7-13(2)27-14/h3-10H,11H2,1-2H3,(H3,20,21,22,23,24)/b10-9+
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50763
PNG
(2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid (3...)
Show SMILES O=C(NCCCn1ccnc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C15H17N3O3/c19-15(17-4-1-6-18-7-5-16-11-18)12-2-3-13-14(10-12)21-9-8-20-13/h2-3,5,7,10-11H,1,4,6,8-9H2,(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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50789
PNG
(2-(9-methoxy-6-indolo[3,2-b]quinoxalinyl)acetic ac...)
Show SMILES CCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc12
Show InChI InChI=1S/C19H17N3O3/c1-3-25-17(23)11-22-16-9-8-12(24-2)10-13(16)18-19(22)21-15-7-5-4-6-14(15)20-18/h4-10H,3,11H2,1-2H3
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50931
PNG
(4-({[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-...)
Show SMILES CCn1c(SCc2ccc(cc2)C(=O)Nc2nccs2)nnc1-c1ccc(N)cc1
Show InChI InChI=1S/C21H20N6OS2/c1-2-27-18(15-7-9-17(22)10-8-15)25-26-21(27)30-13-14-3-5-16(6-4-14)19(28)24-20-23-11-12-29-20/h3-12H,2,13,22H2,1H3,(H,23,24,28)
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51035
PNG
(MLS000331673 | N-[4-(5-Cyano-4-methyl-2H,3H-1,6,10...)
Show SMILES CC(=O)Nc1ccc(cc1)N1CCc2c1n1c3ccccc3nc1c(C#N)c2C
Show InChI InChI=1S/C23H19N5O/c1-14-18-11-12-27(17-9-7-16(8-10-17)25-15(2)29)23(18)28-21-6-4-3-5-20(21)26-22(28)19(14)13-24/h3-10H,11-12H2,1-2H3,(H,25,29)
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50053
PNG
((4Z)-4-(2-fluorobenzylidene)-2-(methylthio)-2-thia...)
Show SMILES CSC1=N\C(=C/c2ccccc2F)C(=O)S1 |t:2|
Show InChI InChI=1S/C11H8FNOS2/c1-15-11-13-9(10(14)16-11)6-7-4-2-3-5-8(7)12/h2-6H,1H3/b9-6-
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50987
PNG
(2-Methyl-1-naphthalen-1-ylmethyl-5-nitro-1H-imidaz...)
Show SMILES Cc1ncc(n1Cc1cccc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C15H13N3O2/c1-11-16-9-15(18(19)20)17(11)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-9H,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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50887
PNG
(4-benzyl-10-(diphenylmethylene)-4-azatricyclo[5.2....)
Show SMILES [H]C12[#6]=[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7](-[#6]-c1ccccc1)-[#6]-3=O)\[#6]2=[#6](/c1ccccc1)-c1ccccc1 |c:2,TLB:8:7:20:3.2,THB:18:6:20:3.2|
Show InChI InChI=1S/C29H23NO2/c31-28-26-22-16-17-23(27(26)29(32)30(28)18-19-10-4-1-5-11-19)25(22)24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22-23,26-27H,18H2
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50915
PNG
(1-(diphenylamino)-3-methyl-thiourea | 1-methyl-3-(...)
Show SMILES CNC(=S)NN(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H15N3S/c1-15-14(18)16-17(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,15,16,18)
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50860
PNG
(2-(3-Cyano-6-methyl-quinolin-2-ylsulfanyl)-N-(2-mo...)
Show SMILES Cc1ccc2nc(SCC(=O)Nc3ccccc3N3CCOCC3)c(cc2c1)C#N
Show InChI InChI=1S/C23H22N4O2S/c1-16-6-7-19-17(12-16)13-18(14-24)23(26-19)30-15-22(28)25-20-4-2-3-5-21(20)27-8-10-29-11-9-27/h2-7,12-13H,8-11,15H2,1H3,(H,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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51131
PNG
(8,10a-bis(oxidanyl)-1H-chromeno[2,3-d]pyrimidine-2...)
Show SMILES Oc1ccc2C=C3C(=O)NC(=O)NC3(O)Oc2c1 |t:5|
Show InChI InChI=1S/C11H8N2O5/c14-6-2-1-5-3-7-9(15)12-10(16)13-11(7,17)18-8(5)4-6/h1-4,14,17H,(H2,12,13,15,16)
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51285
PNG
(1-Amino-6-bromo-3-methyl-3H-naphtho[1,2,3-de]quino...)
Show SMILES Cn1c2ccc(Br)c3C(=O)c4ccccc4-c(c(N)c1=O)c23
Show InChI InChI=1S/C17H11BrN2O2/c1-20-11-7-6-10(18)13-14(11)12(15(19)17(20)22)8-4-2-3-5-9(8)16(13)21/h2-7H,19H2,1H3
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50972
PNG
(8-amino-3-butyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C14H15N5O2/c1-2-3-6-19-13(20)11-12(18-14(19)21)17-10-7-8(15)4-5-9(10)16-11/h4-5,7H,2-3,6,15H2,1H3,(H,17,18,21)
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51030
PNG
(8-amino-3-hexyl-1H-benzo[g]pteridine-2,4-dione | 8...)
Show SMILES CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
Show InChI InChI=1S/C16H19N5O2/c1-2-3-4-5-8-21-15(22)13-14(20-16(21)23)19-12-9-10(17)6-7-11(12)18-13/h6-7,9H,2-5,8,17H2,1H3,(H,19,20,23)
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51236
PNG
(6-Oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylic acid...)
Show SMILES COC(CNC(=O)c1ccc2C(=O)c3ccccc3-c3onc1c23)OC
Show InChI InChI=1S/C19H16N2O5/c1-24-14(25-2)9-20-19(23)13-8-7-12-15-16(13)21-26-18(15)11-6-4-3-5-10(11)17(12)22/h3-8,14H,9H2,1-2H3,(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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51262
PNG
(3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(...)
Show SMILES O=C(C1C(N(C(=O)C1=O)c1nccs1)c1ccccc1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H14N2O4S/c25-19(16-12-14-8-4-5-9-15(14)28-16)17-18(13-6-2-1-3-7-13)24(21(27)20(17)26)22-23-10-11-29-22/h1-12,17-18H
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51295
PNG
(8-Amino-2-thioxo-2,3-dihydro-1H-benzo[g]pteridin-4...)
Show SMILES Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O
Show InChI InChI=1S/C10H7N5OS/c11-4-1-2-5-6(3-4)13-8-7(12-5)9(16)15-10(17)14-8/h1-3H,11H2,(H2,13,14,15,16,17)
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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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50056938
PNG
(2,6,7-Trihydroxy-9-methyl-xanthen-3-one | CHEMBL17...)
Show SMILES Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3
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n/an/a 990n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51082
PNG
(2-[(2Z,5Z)-4-keto-2-(2-keto-3,3-dimethyl-butyliden...)
Show SMILES CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C25H27N3O6S/c1-5-11-26-22(30)15-27-23(14-21(29)25(2,3)4)35-20(24(27)31)13-18-9-10-19(34-18)16-7-6-8-17(12-16)28(32)33/h6-10,12-14H,5,11,15H2,1-4H3,(H,26,30)/b20-13-,23-14-
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n/an/a 1.03E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51305
PNG
(3,5-diphenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a...)
Show SMILES FC(F)(F)c1[nH]n2c(nc(cc2=O)-c2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C19H12F3N3O/c20-19(21,22)17-16(13-9-5-2-6-10-13)18-23-14(11-15(26)25(18)24-17)12-7-3-1-4-8-12/h1-11,24H
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n/an/a 1.03E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51299
PNG
(8-Amino-3-phenethyl-10H-benzo[g]pteridine-2,4-dion...)
Show SMILES Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(CCc1ccccc1)c3=O
Show InChI InChI=1S/C18H15N5O2/c19-12-6-7-13-14(10-12)21-16-15(20-13)17(24)23(18(25)22-16)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,19H2,(H,21,22,25)
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n/an/a 1.03E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM46810
PNG
(8-Amino-7-methyl-3-phenethyl-10H-benzo[g]pteridine...)
Show SMILES Cc1cc2nc3c(nc2cc1N)[nH]c(=O)n(CCc1ccccc1)c3=O
Show InChI InChI=1S/C19H17N5O2/c1-11-9-14-15(10-13(11)20)22-17-16(21-14)18(25)24(19(26)23-17)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8,20H2,1H3,(H,22,23,26)
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n/an/a 1.10E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50771
PNG
(3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-2-(3-pro...)
Show SMILES Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1nccs1)c1cccc(OCC=C)c1
Show InChI InChI=1S/C22H18N2O5S/c1-3-10-28-15-6-4-5-14(12-15)18-17(19(25)16-8-7-13(2)29-16)20(26)21(27)24(18)22-23-9-11-30-22/h3-9,11-12,17-18H,1,10H2,2H3
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n/an/a 1.15E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51151
PNG
(8-Amino-3-cyclohexyl-10H-benzo[g]pteridine-2,4-dio...)
Show SMILES Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(C1CCCCC1)c3=O
Show InChI InChI=1S/C16H17N5O2/c17-9-6-7-11-12(8-9)19-14-13(18-11)15(22)21(16(23)20-14)10-4-2-1-3-5-10/h6-8,10H,1-5,17H2,(H,19,20,23)
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n/an/a 1.17E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50865
PNG
(3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-t...)
Show SMILES CC(C)c1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nnc(C)s1
Show InChI InChI=1S/C21H19N3O4S/c1-11(2)13-6-8-14(9-7-13)17-16(18(25)15-5-4-10-28-15)19(26)20(27)24(17)21-23-22-12(3)29-21/h4-11,16-17H,1-3H3
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n/an/a 1.19E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50829
PNG
(4-(6-methoxy-2-methyl-4-quinolinyl)morpholine | 4-...)
Show SMILES COc1ccc2nc(C)cc(N3CCOCC3)c2c1
Show InChI InChI=1S/C15H18N2O2/c1-11-9-15(17-5-7-19-8-6-17)13-10-12(18-2)3-4-14(13)16-11/h3-4,9-10H,5-8H2,1-2H3
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n/an/a 1.20E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51286
PNG
(2-chloranyl-N-[1-[3-(phenylsulfonylamino)quinoxali...)
Show SMILES Clc1ccccc1C(=O)[N-]c1ccc[n+](c1)-c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H18ClN5O3S/c27-21-13-5-4-12-20(21)26(33)28-18-9-8-16-32(17-18)25-24(29-22-14-6-7-15-23(22)30-25)31-36(34,35)19-10-2-1-3-11-19/h1-17H,(H-,28,29,31,33)
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n/an/a 1.20E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50810
PNG
(2-(2-cyanophenoxy)acetic acid [2-(1-allyl-2,5-dime...)
Show SMILES Cc1cc(C(=O)COC(=O)COc2ccccc2C#N)c(C)n1CC=C
Show InChI InChI=1S/C20H20N2O4/c1-4-9-22-14(2)10-17(15(22)3)18(23)12-26-20(24)13-25-19-8-6-5-7-16(19)11-21/h4-8,10H,1,9,12-13H2,2-3H3
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n/an/a 1.21E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50913
PNG
((E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-[5-(phen...)
Show SMILES CN(C)c1ccc(\C=C(/C#N)C(=O)Nc2nc3CN(Cc4ccccc4)CCc3s2)cc1
Show InChI InChI=1S/C25H25N5OS/c1-29(2)21-10-8-18(9-11-21)14-20(15-26)24(31)28-25-27-22-17-30(13-12-23(22)32-25)16-19-6-4-3-5-7-19/h3-11,14H,12-13,16-17H2,1-2H3,(H,27,28,31)/b20-14+
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n/an/a 1.24E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50806
PNG
(2-cyano-2-[3-(diethylamino)-2-quinoxalinyl]-N-(2-p...)
Show SMILES CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H25N5O/c1-3-28(4-2)22-21(26-19-12-8-9-13-20(19)27-22)18(16-24)23(29)25-15-14-17-10-6-5-7-11-17/h5-13,18H,3-4,14-15H2,1-2H3,(H,25,29)
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n/an/a 1.31E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM40324
PNG
((4Z)-2-nitro-4-[(2-thiazolylhydrazo)methylidene]-1...)
Show SMILES [O-][N+](=O)c1c[c-](C[NH+]=Nc2nccs2)ccc1=O |w:7.6|
Show InChI InChI=1S/C10H7N4O3S/c15-9-2-1-7(5-8(9)14(16)17)6-12-13-10-11-3-4-18-10/h1-5H,6H2/q-1/p+1
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n/an/a 1.38E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50821
PNG
(7-fluoro-8-pyrrolidin-1-yl-1,2,3,4-tetrahydrophena...)
Show SMILES [O-]N1C2=C(CCCC2)[N+](=O)c2cc(N3CCCC3)c(F)cc12 |t:2|
Show InChI InChI=1S/C16H18FN3O2/c17-11-9-15-16(10-14(11)18-7-3-4-8-18)20(22)13-6-2-1-5-12(13)19(15)21/h9-10H,1-8H2
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n/an/a 1.41E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM44586
PNG
(5-[[1-phenyl-3-(4-propan-2-yloxyphenyl)-4-pyrazoly...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nn(cc1C=c1sc2ncnn2c1=O)-c1ccccc1
Show InChI InChI=1S/C23H19N5O2S/c1-15(2)30-19-10-8-16(9-11-19)21-17(13-27(26-21)18-6-4-3-5-7-18)12-20-22(29)28-23(31-20)24-14-25-28/h3-15H,1-2H3
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n/an/a 1.43E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51272
PNG
((2E)-1-acetyl-2-[(4-chloroanilino)methylene]pseudo...)
Show SMILES CC(=O)n1c(C=Nc2ccc(Cl)cc2)c(O)c2ccccc12 |w:6.6|
Show InChI InChI=1S/C17H13ClN2O2/c1-11(21)20-15-5-3-2-4-14(15)17(22)16(20)10-19-13-8-6-12(18)7-9-13/h2-10,22H,1H3
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n/an/a 1.45E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50857
PNG
(6-phenyl-2,3-dihydro-1H-quinolin-4-one | MLS000391...)
Show SMILES O=C1CCNc2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C15H13NO/c17-15-8-9-16-14-7-6-12(10-13(14)15)11-4-2-1-3-5-11/h1-7,10,16H,8-9H2
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n/an/a 1.47E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51194
PNG
((1-pyrazin-2-ylethylideneamino) 3-(2,6-dichlorophe...)
Show SMILES CC(=NOC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)c1cnccn1 |w:2.2,(11.89,4.02,;12.21,2.52,;11.07,1.49,;9.6,1.96,;8.46,.93,;9.49,-.21,;6.99,1.41,;6.52,2.87,;7.42,4.12,;4.98,2.87,;4.5,1.41,;5.75,.5,;5.75,-1.04,;4.41,-1.81,;3.08,-1.04,;4.41,-3.35,;5.75,-4.12,;7.08,-3.35,;7.08,-1.81,;8.62,-1.81,;13.68,2.04,;14.82,3.07,;16.29,2.6,;16.61,1.09,;15.46,.06,;14,.53,)|
Show InChI InChI=1S/C17H12Cl2N4O3/c1-9(13-8-20-6-7-21-13)22-26-17(24)14-10(2)25-23-16(14)15-11(18)4-3-5-12(15)19/h3-8H,1-2H3
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n/an/a 1.48E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50954
PNG
(2-(2,4-dichlorophenoxy)ethyl 3,4,6-tri-O-acetyl-2-...)
Show SMILES CC(=O)NC1C(OCCOc2ccc(Cl)cc2Cl)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O
Show InChI InChI=1S/C22H27Cl2NO10/c1-11(26)25-19-21(34-14(4)29)20(33-13(3)28)18(10-32-12(2)27)35-22(19)31-8-7-30-17-6-5-15(23)9-16(17)24/h5-6,9,18-22H,7-8,10H2,1-4H3,(H,25,26)
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n/an/a 1.48E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51050
PNG
(2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Show InChI InChI=1S/C25H20Cl2N2O5/c26-16-12-15(13-17(27)14-16)25(32)34-11-8-29-23(30)19-3-1-2-18-21(28-6-9-33-10-7-28)5-4-20(22(18)19)24(29)31/h1-5,12-14H,6-11H2
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n/an/a 1.51E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51081
PNG
((5E)-1-(4-fluorophenyl)-5-[[1-(phenylmethyl)-3,4-d...)
Show SMILES Fc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc3N(Cc4ccccc4)CCCc3c2)C1=O |w:14.15|
Show InChI InChI=1S/C27H22FN3O3/c28-21-9-11-22(12-10-21)31-26(33)23(25(32)29-27(31)34)16-19-8-13-24-20(15-19)7-4-14-30(24)17-18-5-2-1-3-6-18/h1-3,5-6,8-13,15-16H,4,7,14,17H2,(H,29,32,34)
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n/an/a 1.51E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM42077
PNG
(4-({[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)th...)
Show SMILES OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C26H19N3O4S/c30-22(27-19-12-10-17(11-13-19)26(31)32)15-34-25-20-14-18-8-4-5-9-21(18)33-24(20)28-23(29-25)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,30)(H,31,32)
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n/an/a 1.51E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50758
PNG
(2-(3-ethoxyphenyl)-3-(5-methylfuran-2-yl)carbonyl-...)
Show SMILES CCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1nccs1
Show InChI InChI=1S/C21H18N2O5S/c1-3-27-14-6-4-5-13(11-14)17-16(18(24)15-8-7-12(2)28-15)19(25)20(26)23(17)21-22-9-10-29-21/h4-11,16-17H,3H2,1-2H3
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n/an/a 1.51E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51282
PNG
(1-[[(E)-[5-[(carbamothioylhydrazinylidene)methyl]-...)
Show SMILES Cc1cc(C=NNC(N)=S)c(O)c(C=NNC(N)=S)c1 |w:5.5,14.14|
Show InChI InChI=1S/C11H14N6OS2/c1-6-2-7(4-14-16-10(12)19)9(18)8(3-6)5-15-17-11(13)20/h2-5,18H,1H3,(H3,12,16,19)(H3,13,17,20)
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n/an/a 1.53E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM48877
PNG
(3-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-10-8-15(9-11-18)23-29-24-20(13-16-4-1-2-7-21(16)34-24)25(30-23)35-14-22(31)28-19-6-3-5-17(12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
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n/an/a 1.53E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM51003
PNG
(3-Amino-8-ethyl-thieno[2,3-b]quinoline-2-carboxyli...)
Show SMILES CCc1cccc2cc3c(N)c(sc3nc12)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C24H24N4O3S2/c1-2-15-6-5-7-16-14-19-20(25)22(32-24(19)27-21(15)16)23(29)26-17-8-10-18(11-9-17)33(30,31)28-12-3-4-13-28/h5-11,14H,2-4,12-13,25H2,1H3,(H,26,29)
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n/an/a 1.55E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM50980
PNG
(7-(2,4-Dimethoxy-phenyl)-2-hydroxy-9-trifluorometh...)
Show SMILES COc1ccc(c(OC)c1)-c1cc(c2c(n1)sc1c2[nH]c(O)cc1=O)C(F)(F)F
Show InChI InChI=1S/C19H13F3N2O4S/c1-27-8-3-4-9(13(5-8)28-2)11-6-10(19(20,21)22)15-16-17(29-18(15)23-11)12(25)7-14(26)24-16/h3-7H,1-2H3,(H2,24,25,26)
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n/an/a 1.58E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)		BDBM48838
PNG
((5Z)-2-(4-hydroxyanilino)-5-(2-ketoindolin-3-ylide...)
Show SMILES Oc1ccc(NC2=NC(=O)C(S2)=C2C(=O)Nc3ccccc23)cc1 |w:12.22,t:6|
Show InChI InChI=1S/C17H11N3O3S/c21-10-7-5-9(6-8-10)18-17-20-16(23)14(24-17)13-11-3-1-2-4-12(11)19-15(13)22/h1-8,21H,(H,19,22)(H,18,20,23)
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n/an/a 1.58E+3n/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: Theodore Jardetzky; Northw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%