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Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with Target = 'core protein'   
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
core protein


(Hepatitis C virus)
BDBM51782
PNG
((5E)-5-(2-furanylmethylidene)-1-(2-methylphenyl)-2...)
Show SMILES Cc1ccccc1N1C(=S)NC(=O)C(=Cc2ccco2)C1=O
Show InChI InChI=1S/C16H12N2O3S/c1-10-5-2-3-7-13(10)18-15(20)12(14(19)17-16(18)22)9-11-6-4-8-21-11/h2-9H,1H3,(H,17,19,22)
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n/an/a 4.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54990
PNG
(MLS000948379 | N-[3-(1-azepanyl)propyl]-2-[[5,7-di...)
Show SMILES Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCCN4CCCCCC4)nn3c2C)cc1
Show InChI InChI=1S/C26H36N6OS/c1-19-9-11-22(12-10-19)17-23-20(2)28-25-29-26(30-32(25)21(23)3)34-18-24(33)27-13-8-16-31-14-6-4-5-7-15-31/h9-12H,4-8,13-18H2,1-3H3,(H,27,33)
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n/an/a 9.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM55000
PNG
((E)-N-[2-(2,6-difluoroanilino)-2-keto-ethyl]-N-eth...)
Show SMILES CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C22H19F2N3O2/c1-2-27(14-20(28)26-22-17(23)7-5-8-18(22)24)21(29)13-12-16-11-10-15-6-3-4-9-19(15)25-16/h3-13H,2,14H2,1H3,(H,26,28)/b13-12+
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n/an/a 1.67E+4n/an/an/an/an/an/a



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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM55004
PNG
((4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)me...)
Show SMILES Brc1ccc(C=CC(=O)OCc2nc3ccsc3c(=O)[nH]2)o1
Show InChI InChI=1S/C14H9BrN2O4S/c15-10-3-1-8(21-10)2-4-12(18)20-7-11-16-9-5-6-22-13(9)14(19)17-11/h1-6H,7H2,(H,16,17,19)
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n/an/a 1.82E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54988
PNG
(BETA CAROTENE | MLS001066383 | SMR000112037 | beta...)
Show SMILES C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
Show InChI InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM55007
PNG
(MLS001081306 | N-[2-(4-methoxyanilino)-2-oxoethyl]...)
Show SMILES COc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1
Show InChI InChI=1S/C18H20N2O3S/c1-20(18(22)16-10-12-4-3-5-15(12)24-16)11-17(21)19-13-6-8-14(23-2)9-7-13/h6-10H,3-5,11H2,1-2H3,(H,19,21)
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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM31752
PNG
(Icosa‐5,8,11,14‐tetraynoic acid (D3) |...)
Show SMILES CCCCCC#CCC#CCC#CCC#CCCCC(O)=O
Show InChI InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
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n/an/a 4.63E+4n/an/an/an/an/an/a



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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54999
PNG
(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic...)
Show SMILES COCCN(C(=O)COC(=O)c1cc2CCCc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C24H26N4O6S/c1-33-11-10-27(19(29)14-34-23(31)18-12-16-8-5-9-17(16)35-18)20-21(25)28(24(32)26-22(20)30)13-15-6-3-2-4-7-15/h2-4,6-7,12H,5,8-11,13-14,25H2,1H3,(H,26,30,32)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM35730
PNG
(cid_694792 | sulfonamide deriv., 5e)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C13H14N2O3S2/c14-20(17,18)12-5-3-10(4-6-12)9-15-13(16)8-11-2-1-7-19-11/h1-7H,8-9H2,(H,15,16)(H2,14,17,18)
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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM31757
PNG
(6-hydroxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qui...)
Show SMILES OC(=O)C1Nc2c(O)cccc2C2C=CCC12
Show InChI InChI=1S/C13H13NO3/c15-10-6-2-5-8-7-3-1-4-9(7)12(13(16)17)14-11(8)10/h1-3,5-7,9,12,14-15H,4H2,(H,16,17)
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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54962
PNG
(2,6-bis(azanyl)-4-(2-methylthiophen-3-yl)-4H-thiop...)
Show SMILES Cc1sccc1C1C(C#N)C(=N)SC(=N)C1C#N
Show InChI InChI=1S/C12H10N4S2/c1-6-7(2-3-17-6)10-8(4-13)11(15)18-12(16)9(10)5-14/h2-3,8-10,15-16H,1H3
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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54963
PNG
(6-[4-(2-furoyl)piperazino]-8-(2-furyl)-3,3-dimethy...)
Show SMILES CC1(C)Cc2c(CS1)c(nc(N1CCN(CC1)C(=O)c1ccco1)c2C#N)-c1ccco1
Show InChI InChI=1S/C24H24N4O3S/c1-24(2)13-16-17(14-25)22(26-21(18(16)15-32-24)19-5-3-11-30-19)27-7-9-28(10-8-27)23(29)20-6-4-12-31-20/h3-6,11-12H,7-10,13,15H2,1-2H3
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54964
PNG
(1-(2-furanylmethyl)-7,7-dimethyl-2-(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)-c1nc(=S)c2COC(C)(C)Cc2n1Cc1ccco1
Show InChI InChI=1S/C21H22N2O2S/c1-14-6-8-15(9-7-14)19-22-20(26)17-13-25-21(2,3)11-18(17)23(19)12-16-5-4-10-24-16/h4-10H,11-13H2,1-3H3
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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54965
PNG
(1-(2,3-dihydroindol-1-yl)-2-[(5-ethyl-1,3,4-thiadi...)
Show SMILES CCc1nnc(NCC(=O)N2CCc3ccccc23)s1
Show InChI InChI=1S/C14H16N4OS/c1-2-12-16-17-14(20-12)15-9-13(19)18-8-7-10-5-3-4-6-11(10)18/h3-6H,2,7-9H2,1H3,(H,15,17)
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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM50019
PNG
(2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(5,7-dime...)
Show SMILES Cc1cc(C)n2c(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nnc2n1
Show InChI InChI=1S/C18H15N7OS/c1-10-7-11(2)25-17(20-10)23-24-18(25)27-9-15(26)12(8-19)16-21-13-5-3-4-6-14(13)22-16/h3-7,12H,9H2,1-2H3,(H,21,22)
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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54966
PNG
(2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfany...)
Show SMILES CCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O
Show InChI InChI=1S/C18H20N4O3S/c1-3-4-9-22-17(24)13-7-5-6-8-14(13)19-18(22)26-11-16(23)20-15-10-12(2)25-21-15/h5-8,10H,3-4,9,11H2,1-2H3,(H,20,21,23)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM39997
PNG
(5-methyl-3-isoxazolecarboxylic acid [2-(5-bromo-2-...)
Show SMILES Cc1cc(no1)C(=O)OCC(=O)c1ccc(Br)s1
Show InChI InChI=1S/C11H8BrNO4S/c1-6-4-7(13-17-6)11(15)16-5-8(14)9-2-3-10(12)18-9/h2-4H,5H2,1H3
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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM40005
PNG
(2-[2-[4,4-diethyl-2,5-bis(oxidanylidene)imidazolid...)
Show SMILES CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
Show InChI InChI=1S/C17H22N4O4S/c1-3-17(4-2)15(24)21(16(25)20-17)8-11(22)19-14-12(13(18)23)9-6-5-7-10(9)26-14/h3-8H2,1-2H3,(H2,18,23)(H,19,22)(H,20,25)
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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM47086
PNG
(2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quina...)
Show SMILES Cc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1
Show InChI InChI=1S/C16H12N4OS/c1-10-5-4-6-11(9-10)17-15-19-20-14(21)12-7-2-3-8-13(12)18-16(20)22-15/h2-9H,1H3,(H,17,19)
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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM35401
PNG
(3-hydroxy-2-phenyl-2,3-dihydro-1,5-benzothiazepin-...)
Show SMILES OC1C(Sc2ccccc2NC1=O)c1ccccc1
Show InChI InChI=1S/C15H13NO2S/c17-13-14(10-6-2-1-3-7-10)19-12-9-5-4-8-11(12)16-15(13)18/h1-9,13-14,17H,(H,16,18)
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PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM35419
PNG
(MLS000050867 | N-(9-ethyl-3-carbazolyl)-2-[[4-ethy...)
Show SMILES CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Show InChI InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54967
PNG
(5-bromanyl-3H-benzo[e]benzimidazole | 5-bromo-1H-n...)
Show SMILES Brc1cc2[nH]cnc2c2ccccc12
Show InChI InChI=1S/C11H7BrN2/c12-9-5-10-11(14-6-13-10)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM48611
PNG
(2-(2-thienyl)-N-(5-veratryl-1,3,4-thiadiazol-2-yl)...)
Show SMILES COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
Show InChI InChI=1S/C17H17N3O3S2/c1-22-13-6-5-11(8-14(13)23-2)9-16-19-20-17(25-16)18-15(21)10-12-4-3-7-24-12/h3-8H,9-10H2,1-2H3,(H,18,20,21)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM34295
PNG
(6-keto-8-(5-methyl-2-furyl)-3-(m-tolyl)-2,4,7,8-te...)
Show SMILES Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1cccc(C)c1
Show InChI InChI=1S/C20H19N3O2S/c1-13-4-3-5-15(8-13)22-11-23-19(24)9-16(18-7-6-14(2)25-18)17(10-21)20(23)26-12-22/h3-8,16H,9,11-12H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM40985
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-[2-methyl-5-(3-...)
Show SMILES Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1
Show InChI InChI=1S/C20H18ClN5O2S/c1-11-4-5-14(19-25-26-13(3)23-24-20(26)29-19)9-17(11)22-18(27)10-28-15-6-7-16(21)12(2)8-15/h4-9H,10H2,1-3H3,(H,22,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM40991
PNG
(5,6-bis(2-furanyl)-4-furo[2,3-d]pyrimidinamine | 5...)
Show SMILES Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12
Show InChI InChI=1S/C14H9N3O3/c15-13-11-10(8-3-1-5-18-8)12(9-4-2-6-19-9)20-14(11)17-7-16-13/h1-7H,(H2,15,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM40998
PNG
(MLS000108784 | SMR000104735 | cid_1356461)
Show SMILES Cc1c(N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C25H19N3O3/c1-14-22(25(31)28(26(14)2)17-6-4-3-5-7-17)27-23(29)18-12-10-15-8-9-16-11-13-19(24(27)30)21(18)20(15)16/h3-7,10-13H,8-9H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM49371
PNG
(1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic...)
Show SMILES BrC(C=NNC(=O)c1[nH]nc2CCCc12)=Cc1ccccc1
Show InChI InChI=1S/C16H15BrN4O/c17-12(9-11-5-2-1-3-6-11)10-18-21-16(22)15-13-7-4-8-14(13)19-20-15/h1-3,5-6,9-10H,4,7-8H2,(H,19,20)(H,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM33075
PNG
(2,3-bis(2-furanyl)-N-[3-(trifluoromethyl)phenyl]-6...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
Show InChI InChI=1S/C24H14F3N3O3/c25-24(26,27)15-4-1-5-16(13-15)28-23(31)14-8-9-17-18(12-14)30-22(20-7-3-11-33-20)21(29-17)19-6-2-10-32-19/h1-13H,(H,28,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM32280
PNG
(MLS000534769 | N-(4-acetylphenyl)-2,3-bis(2-furany...)
Show SMILES CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
Show InChI InChI=1S/C25H17N3O4/c1-15(29)16-6-9-18(10-7-16)26-25(30)17-8-11-19-20(14-17)28-24(22-5-3-13-32-22)23(27-19)21-4-2-12-31-21/h2-14H,1H3,(H,26,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM29658
PNG
(MLS000557330 | N-[3-Cyano-1-furan-2-ylmethyl-8-met...)
Show SMILES Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
Show InChI InChI=1S/C26H19N5O3/c1-16-6-3-8-18(12-16)25(32)29-23-19(14-27)13-21-24(31(23)15-20-9-5-11-34-20)28-22-17(2)7-4-10-30(22)26(21)33/h3-13H,15H2,1-2H3/b29-23+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM50098
PNG
((3E)-3-(2-furanylmethylidene)-4-imino-8-methylsulf...)
Show SMILES CS(=O)(=O)c1ccc2N3C(Sc2c1)=NC(=O)\C(=C\c1ccco1)C3=N
Show InChI InChI=1S/C16H11N3O4S2/c1-25(21,22)10-4-5-12-13(8-10)24-16-18-15(20)11(14(17)19(12)16)7-9-3-2-6-23-9/h2-8,17H,1H3/b11-7+,17-14?
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM40694
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[4-[2-...)
Show SMILES O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C25H21N3O6/c29-23(27-9-11-28(12-10-27)24(30)22-8-4-14-33-22)16-34-25(31)18-15-20(21-7-3-13-32-21)26-19-6-2-1-5-17(18)19/h1-8,13-15H,9-12,16H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM40714
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-[(2-me...)
Show SMILES COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C24H20N2O5/c1-29-21-10-5-2-7-16(21)14-25-23(27)15-31-24(28)18-13-20(22-11-6-12-30-22)26-19-9-4-3-8-17(18)19/h2-13H,14-15H2,1H3,(H,25,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54968
PNG
(MLS000570167 | N-(1,3-benzodioxol-5-yl)-2-(4-methy...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C24H22N2O5S/c1-16-6-9-20(10-7-16)32(28,29)26-14-18-5-3-2-4-17(18)12-21(26)24(27)25-19-8-11-22-23(13-19)31-15-30-22/h2-11,13,21H,12,14-15H2,1H3,(H,25,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM40727
PNG
(MLS000537135 | N'-(4-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
Show InChI InChI=1S/C21H14FN3O2/c22-15-9-7-14(8-10-15)13-23-25-21(26)17-12-19(20-6-3-11-27-20)24-18-5-2-1-4-16(17)18/h1-13H,(H,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM41075
PNG
(2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[[5-(4-nit...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C27H24N4O7S/c1-2-37-23-12-15-25(16-13-23)39(35,36)30(21-6-4-3-5-7-21)19-27(32)29-28-18-24-14-17-26(38-24)20-8-10-22(11-9-20)31(33)34/h3-18H,2,19H2,1H3,(H,29,32)/b28-18+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM47242
PNG
(4-bromanyl-2-methyl-7,8,9,10-tetrahydro-6H-cyclohe...)
Show SMILES Cc1cc(Br)c2nc3CCCCCc3c(C(O)=O)c2c1
Show InChI InChI=1S/C16H16BrNO2/c1-9-7-11-14(16(19)20)10-5-3-2-4-6-13(10)18-15(11)12(17)8-9/h7-8H,2-6H2,1H3,(H,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54969
PNG
(2-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetr...)
Show SMILES COc1ccc(cc1)-n1c2CCCCc2c(=S)nc1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H19BrN2OS/c1-25-17-12-10-16(11-13-17)24-19-5-3-2-4-18(19)21(26)23-20(24)14-6-8-15(22)9-7-14/h6-13H,2-5H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54970
PNG
(5-(3,4-Dimethoxy-phenyl)-2-p-tolyl-thieno[2,3-d][1...)
Show SMILES COc1ccc(cc1OC)-c1csc2nc(oc(=O)c12)-c1ccc(C)cc1
Show InChI InChI=1S/C21H17NO4S/c1-12-4-6-13(7-5-12)19-22-20-18(21(23)26-19)15(11-27-20)14-8-9-16(24-2)17(10-14)25-3/h4-11H,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM48721
PNG
(1-(3,4-Dichloro-phenyl)-3-(5-pyridin-4-yl-[1,3,4]t...)
Show SMILES Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl
Show InChI InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54971
PNG
(2,8-Dimethyl-quinoline-4-carboxylic acid 2-(4-chlo...)
Show SMILES Cc1cc(C(=O)OCC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c2cccc(C)c2n1
Show InChI InChI=1S/C20H15ClN2O5/c1-11-4-3-5-14-15(8-12(2)22-19(11)14)20(25)28-10-18(24)13-6-7-16(21)17(9-13)23(26)27/h3-9H,10H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54972
PNG
((4Z)-4-[4-(2,4-dinitrophenoxy)-3-methoxy-benzylide...)
Show SMILES COc1cc([CH+]c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C24H18N4O7/c1-15-19(24(29)26(25-15)17-6-4-3-5-7-17)12-16-8-10-22(23(13-16)34-2)35-21-11-9-18(27(30)31)14-20(21)28(32)33/h3-14H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54973
PNG
(5-(cyclopentanecarbonylthiocarbamoylamino)-3-methy...)
Show SMILES CCOC(=O)c1sc(NC(=S)NC(=O)C2CCCC2)cc1C
Show InChI InChI=1S/C15H20N2O3S2/c1-3-20-14(19)12-9(2)8-11(22-12)16-15(21)17-13(18)10-6-4-5-7-10/h8,10H,3-7H2,1-2H3,(H2,16,17,18,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54974
PNG
(5-(cyclopropanecarbonylthiocarbamoylamino)-3-methy...)
Show SMILES CCOC(=O)c1sc(NC(=S)NC(=O)C2CC2)cc1C
Show InChI InChI=1S/C13H16N2O3S2/c1-3-18-12(17)10-7(2)6-9(20-10)14-13(19)15-11(16)8-4-5-8/h6,8H,3-5H2,1-2H3,(H2,14,15,16,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM54975
PNG
(MLS000394231 | N-(4-methoxy-3-morpholin-4-ylsulfon...)
Show SMILES COc1ccc(NC(=O)c2c3CCCc3nc3ccccc23)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C24H25N3O5S/c1-31-21-10-9-16(15-22(21)33(29,30)27-11-13-32-14-12-27)25-24(28)23-17-5-2-3-7-19(17)26-20-8-4-6-18(20)23/h2-3,5,7,9-10,15H,4,6,8,11-14H2,1H3,(H,25,28)
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n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM50318
PNG
(MLS000409344 | N-[5-(diethylsulfamoyl)-2-(4-morpho...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2c3CCCc3nc3ccccc23)c1
Show InChI InChI=1S/C27H32N4O4S/c1-3-31(4-2)36(33,34)19-12-13-25(30-14-16-35-17-15-30)24(18-19)29-27(32)26-20-8-5-6-10-22(20)28-23-11-7-9-21(23)26/h5-6,8,10,12-13,18H,3-4,7,9,11,14-17H2,1-2H3,(H,29,32)
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n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM48751
PNG
(2-(2-furanyl)-N-(2-thiazolyl)-4-quinolinecarboxami...)
Show SMILES O=C(Nc1nccs1)c1cc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C17H11N3O2S/c21-16(20-17-18-7-9-23-17)12-10-14(15-6-3-8-22-15)19-13-5-2-1-4-11(12)13/h1-10H,(H,18,20,21)
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n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM48754
PNG
(2-(2-chlorophenyl)-N'-(2-keto-5-nitro-indol-3-yl)c...)
Show SMILES [O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)c2c1
Show InChI InChI=1S/C24H14ClN5O4/c25-18-7-3-1-6-15(18)21-12-16(14-5-2-4-8-19(14)26-21)23(31)29-28-22-17-11-13(30(33)34)9-10-20(17)27-24(22)32/h1-12H,(H2,26,27,28,29,31,32)
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n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
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