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Compile Data Set for Download or QSAR

Found 1416 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 4448   
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
Protein LANA1


(Human herpesvirus 8)		BDBM74279
PNG
(MLS002170447 | N-(2,5-dimethylphenyl)-2-(3-ethyl-2...)
Show SMILES CCN1C(=O)N(CC(=O)Nc2cc(C)ccc2C)C(=O)C1=O
Show InChI InChI=1S/C15H17N3O4/c1-4-17-13(20)14(21)18(15(17)22)8-12(19)16-11-7-9(2)5-6-10(11)3/h5-7H,4,8H2,1-3H3,(H,16,19)
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Broad Institute

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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74280
PNG
(MLS002166859 | N-(2,4-dichlorophenyl)-2-(5-morphol...)
Show SMILES CC(Sc1ccc(cn1)S(=O)(=O)N1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H19Cl2N3O4S2/c1-12(18(24)22-16-4-2-13(19)10-15(16)20)28-17-5-3-14(11-21-17)29(25,26)23-6-8-27-9-7-23/h2-5,10-12H,6-9H2,1H3,(H,22,24)
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Broad Institute

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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74281
PNG
(2-chloro-3-pyridinecarboxylic acid [2-oxo-2-[4-(1-...)
Show SMILES Clc1ncccc1C(=O)OCC(=O)Nc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C19H20ClN3O3/c20-18-16(5-4-10-21-18)19(25)26-13-17(24)22-14-6-8-15(9-7-14)23-11-2-1-3-12-23/h4-10H,1-3,11-13H2,(H,22,24)
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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74282
PNG
(MLS002182844 | N-[2-(dimethylamino)-2-phenyl-ethyl...)
Show SMILES CN(C)C(CNC(=O)c1cc(ccc1C)S(=O)(=O)Nc1cccc(C)c1)c1ccccc1
Show InChI InChI=1S/C25H29N3O3S/c1-18-9-8-12-21(15-18)27-32(30,31)22-14-13-19(2)23(16-22)25(29)26-17-24(28(3)4)20-10-6-5-7-11-20/h5-16,24,27H,17H2,1-4H3,(H,26,29)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74284
PNG
(MLS002182867 | N'-(3-cyclopentyl-1-oxopropyl)-4-fl...)
Show SMILES Fc1ccc(cc1)C(=O)NNC(=O)CCC1CCCC1
Show InChI InChI=1S/C15H19FN2O2/c16-13-8-6-12(7-9-13)15(20)18-17-14(19)10-5-11-3-1-2-4-11/h6-9,11H,1-5,10H2,(H,17,19)(H,18,20)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74285
PNG
(MLS002179701 | N-[2-(3-methoxyanilino)-2-oxoethyl]...)
Show SMILES COc1cccc(NC(=O)CN(C)C(=O)c2cc(nc3ccccc23)-c2ccc(C)o2)c1
Show InChI InChI=1S/C25H23N3O4/c1-16-11-12-23(32-16)22-14-20(19-9-4-5-10-21(19)27-22)25(30)28(2)15-24(29)26-17-7-6-8-18(13-17)31-3/h4-14H,15H2,1-3H3,(H,26,29)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74286
PNG
(MLS002180172 | N-(6-amino-1-isobutyl-2,4-diketo-py...)
Show SMILES CCCCN(C(=O)CC1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H34N4O3/c1-4-5-11-23(16(25)12-15-9-7-6-8-10-15)17-18(21)24(13-14(2)3)20(27)22-19(17)26/h14-15H,4-13,21H2,1-3H3,(H,22,26,27)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74287
PNG
(MLS002180217 | N'-(4-chlorobenzoyl)-5-keto-7a-meth...)
Show SMILES CC12CCC(=O)N1C(CS2)C(=O)NNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClN3O3S/c1-15-7-6-12(20)19(15)11(8-23-15)14(22)18-17-13(21)9-2-4-10(16)5-3-9/h2-5,11H,6-8H2,1H3,(H,17,21)(H,18,22)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74289
PNG
(1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-N...)
Show SMILES COc1ccc(CCN2CC(CC2=O)C(=O)Nc2nnc(Cc3ccccc3)s2)cc1OC
Show InChI InChI=1S/C24H26N4O4S/c1-31-19-9-8-17(12-20(19)32-2)10-11-28-15-18(14-22(28)29)23(30)25-24-27-26-21(33-24)13-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,25,27,30)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74290
PNG
(MLS002181711 | N-[2-(2,6-dimethylanilino)-2-keto-e...)
Show SMILES CN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc2c(c1)nc1CCCn1c2=O
Show InChI InChI=1S/C23H24N4O3/c1-14-6-4-7-15(2)21(14)25-20(28)13-26(3)22(29)16-9-10-17-18(12-16)24-19-8-5-11-27(19)23(17)30/h4,6-7,9-10,12H,5,8,11,13H2,1-3H3,(H,25,28)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74291
PNG
(4-(4-morpholinyl)-4-oxo-N-[[3-(trifluoromethyl)phe...)
Show SMILES FC(F)(F)c1cccc(CNC(=O)CCC(=O)N2CCOCC2)c1
Show InChI InChI=1S/C16H19F3N2O3/c17-16(18,19)13-3-1-2-12(10-13)11-20-14(22)4-5-15(23)21-6-8-24-9-7-21/h1-3,10H,4-9,11H2,(H,20,22)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74292
PNG
(MLS002181699 | N-[2-(3-methylphenoxy)phenyl]-2,3-d...)
Show SMILES Cc1cccc(Oc2ccccc2NC(=O)C2=COCCO2)c1 |t:17|
Show InChI InChI=1S/C18H17NO4/c1-13-5-4-6-14(11-13)23-16-8-3-2-7-15(16)19-18(20)17-12-21-9-10-22-17/h2-8,11-12H,9-10H2,1H3,(H,19,20)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74293
PNG
(MLS002181622 | N-[3-(2,3-dihydro-1,4-benzodioxin-3...)
Show SMILES COc1ccccc1C(=O)NCCC(=O)NCC1COc2ccccc2O1
Show InChI InChI=1S/C20H22N2O5/c1-25-16-7-3-2-6-15(16)20(24)21-11-10-19(23)22-12-14-13-26-17-8-4-5-9-18(17)27-14/h2-9,14H,10-13H2,1H3,(H,21,24)(H,22,23)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74295
PNG
(MLS002180901 | N-(6-amino-1-isobutyl-2,4-diketo-py...)
Show SMILES CCCCN(C(=O)CCCc1nc2ccccc2s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C23H31N5O3S/c1-4-5-13-27(20-21(24)28(14-15(2)3)23(31)26-22(20)30)19(29)12-8-11-18-25-16-9-6-7-10-17(16)32-18/h6-7,9-10,15H,4-5,8,11-14,24H2,1-3H3,(H,26,30,31)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74296
PNG
(3-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)pr...)
Show SMILES CCOc1ccc(NC(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O)cc1OCC |c:21|
Show InChI InChI=1S/C23H28N2O7/c1-3-30-18-10-9-15(13-19(18)31-4-2)24-20(26)14-32-21(27)11-12-25-22(28)16-7-5-6-8-17(16)23(25)29/h5-6,9-10,13,16-17H,3-4,7-8,11-12,14H2,1-2H3,(H,24,26)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74297
PNG
(3-(2,5-dimethylphenoxy)propanoic acid [2-(2,2-dime...)
Show SMILES Cc1ccc(C)c(OCCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1
Show InChI InChI=1S/C23H26N2O5/c1-15-9-10-16(2)19(13-15)29-12-11-21(27)30-14-20(26)25-18-8-6-5-7-17(18)24-22(28)23(25,3)4/h5-10,13H,11-12,14H2,1-4H3,(H,24,28)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74298
PNG
(MLS002182550 | N-[2-(3,4-diethoxyanilino)-2-keto-e...)
Show SMILES CCOc1ccc(NC(=O)CN(C)C(=O)c2nc3nc(C)cc(C)n3n2)cc1OCC
Show InChI InChI=1S/C21H26N6O4/c1-6-30-16-9-8-15(11-17(16)31-7-2)23-18(28)12-26(5)20(29)19-24-21-22-13(3)10-14(4)27(21)25-19/h8-11H,6-7,12H2,1-5H3,(H,23,28)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74300
PNG
(MLS002182333 | N-[2-(4-methoxyanilino)-2-oxoethyl]...)
Show SMILES COc1ccc(NC(=O)CN(C)C(=O)C(Sc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H24N2O3S/c1-26(17-22(27)25-19-13-15-20(29-2)16-14-19)24(28)23(18-9-5-3-6-10-18)30-21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3,(H,25,27)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74301
PNG
(3-[(4-fluorophenyl)sulfamoyl]-N-(2-oxolanylmethyl)...)
Show SMILES Fc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NCC2CCCO2)cc1
Show InChI InChI=1S/C18H19FN2O4S/c19-14-6-8-15(9-7-14)21-26(23,24)17-5-1-3-13(11-17)18(22)20-12-16-4-2-10-25-16/h1,3,5-9,11,16,21H,2,4,10,12H2,(H,20,22)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74302
PNG
(3-[(4-fluorophenyl)sulfamoyl]-N-[(1-piperidin-1-yl...)
Show SMILES Fc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NCC2(CCCCC2)N2CCCCC2)cc1
Show InChI InChI=1S/C25H32FN3O3S/c26-21-10-12-22(13-11-21)28-33(31,32)23-9-7-8-20(18-23)24(30)27-19-25(14-3-1-4-15-25)29-16-5-2-6-17-29/h7-13,18,28H,1-6,14-17,19H2,(H,27,30)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74303
PNG
(1-[4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)pip...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1c(C)onc1-c1ccccc1
Show InChI InChI=1S/C17H19N3O3/c1-12-15(16(18-23-12)14-6-4-3-5-7-14)17(22)20-10-8-19(9-11-20)13(2)21/h3-7H,8-11H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74305
PNG
(4-[[2-(4-keto-2-pyrrolidino-2-thiazolin-5-yl)acety...)
Show SMILES CNC(=O)c1ccc(NC(=O)Cc2sc(nc2O)N2CCCC2)cc1
Show InChI InChI=1S/C17H20N4O3S/c1-18-15(23)11-4-6-12(7-5-11)19-14(22)10-13-16(24)20-17(25-13)21-8-2-3-9-21/h4-7,24H,2-3,8-10H2,1H3,(H,18,23)(H,19,22)
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Broad Institute

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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74306
PNG
(MLS002182970 | N-[[5-(2-chlorophenyl)-1,3,4-oxadia...)
Show SMILES Clc1ccccc1-c1nnc(CN(C2CC2)C(=O)CC2OC(=O)c3ccccc23)o1
Show InChI InChI=1S/C22H18ClN3O4/c23-17-8-4-3-7-16(17)21-25-24-19(30-21)12-26(13-9-10-13)20(27)11-18-14-5-1-2-6-15(14)22(28)29-18/h1-8,13,18H,9-12H2
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Broad Institute

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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74307
PNG
(2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]-...)
Show SMILES Cc1oc(NC(=O)CSc2nnc(-c3ccco3)n2C)c2c1c(C)n[nH]c2=O
Show InChI InChI=1S/C17H16N6O4S/c1-8-12-9(2)27-16(13(12)15(25)21-19-8)18-11(24)7-28-17-22-20-14(23(17)3)10-5-4-6-26-10/h4-6H,7H2,1-3H3,(H,18,24)(H,21,25)
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Broad Institute

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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74308
PNG
(4-[(3-nitrophenyl)sulfonylamino]-N-(4-oxidanylcycl...)
Show SMILES OC1CCC(CC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc1 |(4.41,-8.23,;4.41,-6.69,;5.75,-5.92,;5.75,-4.38,;4.41,-3.61,;3.08,-4.38,;3.08,-5.92,;4.41,-2.07,;5.75,-1.3,;7.08,-2.07,;5.75,.24,;4.41,1.01,;4.41,2.55,;5.75,3.32,;5.75,4.86,;7.08,5.63,;6.31,6.96,;7.85,4.3,;8.41,6.4,;8.41,7.94,;9.75,8.71,;11.08,7.94,;11.08,6.4,;9.75,5.63,;12.42,5.63,;13.75,6.4,;12.42,4.09,;7.08,2.55,;7.08,1.01,)|
Show InChI InChI=1S/C19H21N3O6S/c23-17-10-8-14(9-11-17)20-19(24)13-4-6-15(7-5-13)21-29(27,28)18-3-1-2-16(12-18)22(25)26/h1-7,12,14,17,21,23H,8-11H2,(H,20,24)
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Broad Institute

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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74310
PNG
(5-chloro-2-methoxy-benzoic acid [2-[(6-amino-1-ben...)
Show SMILES CCN(C(=O)COC(=O)c1cc(Cl)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C23H23ClN4O6/c1-3-27(18(29)13-34-22(31)16-11-15(24)9-10-17(16)33-2)19-20(25)28(23(32)26-21(19)30)12-14-7-5-4-6-8-14/h4-11H,3,12-13,25H2,1-2H3,(H,26,30,32)
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Broad Institute

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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74311
PNG
(MLS002182145 | N-[2-keto-2-(p-toluidino)ethyl]-N-m...)
Show SMILES CN(CC(=O)Nc1ccc(C)cc1)C(=O)c1cc2CCCCCc2s1
Show InChI InChI=1S/C20H24N2O2S/c1-14-8-10-16(11-9-14)21-19(23)13-22(2)20(24)18-12-15-6-4-3-5-7-17(15)25-18/h8-12H,3-7,13H2,1-2H3,(H,21,23)
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Broad Institute

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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74312
PNG
(2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(f...)
Show SMILES Cc1cc(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)c(C)cc1Br
Show InChI InChI=1S/C19H21BrN2O3S/c1-13-11-17(14(2)10-15(13)20)26-12-18(23)21-5-7-22(8-6-21)19(24)16-4-3-9-25-16/h3-4,9-11H,5-8,12H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74313
PNG
(MLS002157652 | N-methyl-4-(4-piperidin-1-ylsulfony...)
Show SMILES CNc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C15H19N3O2S2/c1-16-15-17-14(11-21-15)12-5-7-13(8-6-12)22(19,20)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3,(H,16,17)
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Broad Institute

Curated by PubChem BioAssay


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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74315
PNG
(2-(4-acetylphenoxy)acetic acid [2-[(3-carbamoyl-2-...)
Show SMILES CC(=O)c1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
Show InChI InChI=1S/C17H16N2O6S/c1-10(20)11-2-4-12(5-3-11)24-9-15(22)25-8-14(21)19-17-13(16(18)23)6-7-26-17/h2-7H,8-9H2,1H3,(H2,18,23)(H,19,21)
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Broad Institute

Curated by PubChem BioAssay


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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74316
PNG
(2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [1-...)
Show SMILES CC(OC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C19H25FN2O6S/c1-13(18(23)21-14-4-2-3-5-14)28-19(24)16-12-15(6-7-17(16)20)29(25,26)22-8-10-27-11-9-22/h6-7,12-14H,2-5,8-11H2,1H3,(H,21,23)
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Broad Institute

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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74317
PNG
(2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(...)
Show SMILES Cc1cc(C)cc(NC(=O)COC(=O)c2ccc3OCCOc3c2)c1
Show InChI InChI=1S/C19H19NO5/c1-12-7-13(2)9-15(8-12)20-18(21)11-25-19(22)14-3-4-16-17(10-14)24-6-5-23-16/h3-4,7-10H,5-6,11H2,1-2H3,(H,20,21)
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Broad Institute

Curated by PubChem BioAssay


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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74318
PNG
(MLS002158333 | N-(6-amino-1-butyl-2,4-diketo-pyrim...)
Show SMILES CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C24H30N4O3/c1-4-5-13-28-21(25)20(22(29)26-24(28)31)27(14-12-16(2)3)23(30)19-11-10-17-8-6-7-9-18(17)15-19/h6-11,15-16H,4-5,12-14,25H2,1-3H3,(H,26,29,31)
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Broad Institute

Curated by PubChem BioAssay


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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74320
PNG
(MLS002161382 | N-[2-(2-furanyl)-2-(1-piperidinyl)e...)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)NCC(N1CCCCC1)c1ccco1
Show InChI InChI=1S/C25H29N3O4S/c1-27(21-9-4-2-5-10-21)33(30,31)22-14-12-20(13-15-22)25(29)26-19-23(24-11-8-18-32-24)28-16-6-3-7-17-28/h2,4-5,8-15,18,23H,3,6-7,16-17,19H2,1H3,(H,26,29)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74321
PNG
(2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-...)
Show SMILES CN(CC(=O)Nc1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc12 |t:14|
Show InChI InChI=1S/C16H14ClN3O3S/c1-20(10-15(21)18-12-8-6-11(17)7-9-12)16-13-4-2-3-5-14(13)24(22,23)19-16/h2-9H,10H2,1H3,(H,18,21)
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Broad Institute

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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74322
PNG
((3-acetylphenyl) 2,2-dioxo-3,4-dihydropyrido[2,1-c...)
Show SMILES CC(=O)c1cccc(OC(=O)C2=C3NS(=O)(=O)C=CN3C=CC2)c1 |c:11,17,21|
Show InChI InChI=1S/C16H14N2O5S/c1-11(19)12-4-2-5-13(10-12)23-16(20)14-6-3-7-18-8-9-24(21,22)17-15(14)18/h2-5,7-10,17H,6H2,1H3
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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74323
PNG
(MLS002171113 | N-[3-(diethylcarbamoyl)phenyl]-2,3-...)
Show SMILES CCN(CC)C(=O)c1cccc(NC(=O)C2=COCCO2)c1 |t:15|
Show InChI InChI=1S/C16H20N2O4/c1-3-18(4-2)16(20)12-6-5-7-13(10-12)17-15(19)14-11-21-8-9-22-14/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,19)
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Broad Institute

Curated by PubChem BioAssay


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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74324
PNG
(2-(2,2-dimethylcoumaran-7-yl)oxy-N-(3,4,5-trimetho...)
Show SMILES COc1cc(NC(=O)COc2cccc3CC(C)(C)Oc23)cc(OC)c1OC
Show InChI InChI=1S/C21H25NO6/c1-21(2)11-13-7-6-8-15(19(13)28-21)27-12-18(23)22-14-9-16(24-3)20(26-5)17(10-14)25-4/h6-10H,11-12H2,1-5H3,(H,22,23)
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Broad Institute

Curated by PubChem BioAssay


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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74326
PNG
(3,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothia...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc2nc(sc2c1)N1CCOCC1
Show InChI InChI=1S/C21H23N3O5S/c1-26-16-10-13(11-17(27-2)19(16)28-3)20(25)22-14-4-5-15-18(12-14)30-21(23-15)24-6-8-29-9-7-24/h4-5,10-12H,6-9H2,1-3H3,(H,22,25)
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Broad Institute

Curated by PubChem BioAssay


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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74327
PNG
(2,4-dimethylbenzoic acid [2-[(3-tert-butyl-5-isoxa...)
Show SMILES Cc1ccc(C(=O)OCC(=O)Nc2cc(no2)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C18H22N2O4/c1-11-6-7-13(12(2)8-11)17(22)23-10-15(21)19-16-9-14(20-24-16)18(3,4)5/h6-9H,10H2,1-5H3,(H,19,21)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74328
PNG
(6-amino-1-cyclopropyl-5-[2-[(5-esyl-1,3-benzoxazol...)
Show SMILES CCS(=O)(=O)c1ccc2oc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)nc2c1
Show InChI InChI=1S/C18H18N4O6S2/c1-2-30(26,27)10-5-6-13-11(7-10)20-18(28-13)29-8-12(23)14-15(19)22(9-3-4-9)17(25)21-16(14)24/h5-7,9H,2-4,8,19H2,1H3,(H,21,24,25)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74329
PNG
(6-amino-1-cyclopropyl-5-[2-[[5-(3,4-dimethylanilin...)
Show SMILES Cc1ccc(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)cc1C
Show InChI InChI=1S/C19H20N6O3S2/c1-9-3-4-11(7-10(9)2)21-17-23-24-19(30-17)29-8-13(26)14-15(20)25(12-5-6-12)18(28)22-16(14)27/h3-4,7,12H,5-6,8,20H2,1-2H3,(H,21,23)(H,22,27,28)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74331
PNG
((E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid [2-(3...)
Show SMILES COc1cccc(C=CC(=O)OCC(=O)c2ccc(C)c(C)c2)c1OC |w:7.6|
Show InChI InChI=1S/C21H22O5/c1-14-8-9-17(12-15(14)2)18(22)13-26-20(23)11-10-16-6-5-7-19(24-3)21(16)25-4/h5-12H,13H2,1-4H3
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Broad Institute

Curated by PubChem BioAssay


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Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74332
PNG
(4-keto-4-(2-thienyl)butyric acid [2-(3,4-dimethoxy...)
Show SMILES COc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1OC
Show InChI InChI=1S/C18H19NO6S/c1-23-14-7-5-12(10-15(14)24-2)19-17(21)11-25-18(22)8-6-13(20)16-4-3-9-26-16/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,19,21)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74333
PNG
(MLS002171216 | N-[4-methoxy-3-(2-pyridin-2-ylethyl...)
Show SMILES COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1ccccn1
Show InChI InChI=1S/C16H19N3O4S/c1-12(20)19-14-6-7-15(23-2)16(11-14)24(21,22)18-10-8-13-5-3-4-9-17-13/h3-7,9,11,18H,8,10H2,1-2H3,(H,19,20)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74334
PNG
(2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenyl-1-imi...)
Show SMILES CN(C1CCS(=O)(=O)C1)C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)c1ccc(C)c(C)c1
Show InChI InChI=1S/C24H27N3O5S/c1-16-9-10-19(13-17(16)2)24(18-7-5-4-6-8-18)22(29)27(23(30)25-24)14-21(28)26(3)20-11-12-33(31,32)15-20/h4-10,13,20H,11-12,14-15H2,1-3H3,(H,25,30)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74336
PNG
(1-(4-morpholino-3-nitro-benzoyl)isonipecotic acid ...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H25N3O6/c1-2-28-19(24)14-5-7-21(8-6-14)18(23)15-3-4-16(17(13-15)22(25)26)20-9-11-27-12-10-20/h3-4,13-14H,2,5-12H2,1H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74337
PNG
(MLS002170670 | N-(1,1-diketothiolan-3-yl)-2-[[3-(2...)
Show SMILES Fc1ccccc1-n1c(SCC(=O)NC2CCS(=O)(=O)C2)nc2ccccc2c1=O |(8.18,-1.31,;8.18,-2.85,;6.85,-3.62,;6.85,-5.16,;8.18,-5.93,;9.52,-5.16,;9.52,-3.62,;10.85,-2.85,;10.85,-1.31,;9.52,-.54,;9.52,1,;8.18,1.77,;6.85,1,;8.18,3.31,;6.85,4.08,;6.69,5.61,;5.18,5.93,;4.41,4.6,;3.08,5.37,;3.27,3.57,;5.44,3.45,;12.19,-.54,;13.52,-1.31,;14.9,-.49,;16.29,-1.28,;16.29,-2.88,;14.9,-3.67,;13.52,-2.85,;12.19,-3.62,;12.19,-5.16,)|
Show InChI InChI=1S/C20H18FN3O4S2/c21-15-6-2-4-8-17(15)24-19(26)14-5-1-3-7-16(14)23-20(24)29-11-18(25)22-13-9-10-30(27,28)12-13/h1-8,13H,9-12H2,(H,22,25)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74338
PNG
((E)-3-(3-chlorophenyl)-2-propenoic acid [2-(cyclop...)
Show SMILES Clc1cccc(\C=C\C(=O)OCC(=O)NC2CC2)c1
Show InChI InChI=1S/C14H14ClNO3/c15-11-3-1-2-10(8-11)4-7-14(18)19-9-13(17)16-12-5-6-12/h1-4,7-8,12H,5-6,9H2,(H,16,17)/b7-4+
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Protein LANA1


(Human herpesvirus 8)		BDBM74339
PNG
(MLS002166271 | N-(2-chloranylpyridin-3-yl)-2-[3-[2...)
Show SMILES CC(C)N(CCn1c(SCC(=O)Nc2cccnc2Cl)nc2ccccc2c1=O)C(C)C
Show InChI InChI=1S/C23H28ClN5O2S/c1-15(2)28(16(3)4)12-13-29-22(31)17-8-5-6-9-18(17)27-23(29)32-14-20(30)26-19-10-7-11-25-21(19)24/h5-11,15-16H,12-14H2,1-4H3,(H,26,30)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
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