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Compile Data Set for Download or QSAR

Found 252 hits Enz. Inhib. hit(s) with Target = 'hypothetical protein SA1422' AND taxid = 158879   
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
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM33039
PNG
(2-amino-4-(4-chlorophenyl)-6-(5-methyl-2-furanyl)-...)
Show SMILES Cc1ccc(o1)-c1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1
Show InChI InChI=1S/C17H12ClN3O/c1-10-2-7-16(22-10)15-8-13(14(9-19)17(20)21-15)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21)
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n/an/a 808n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM33041
PNG
(2-amino-6-(5-methyl-2-furanyl)-4-(4-methylphenyl)-...)
Show SMILES Cc1ccc(o1)-c1cc(-c2ccc(C)cc2)c(C#N)c(N)n1
Show InChI InChI=1S/C18H15N3O/c1-11-3-6-13(7-4-11)14-9-16(17-8-5-12(2)22-17)21-18(20)15(14)10-19/h3-9H,1-2H3,(H2,20,21)
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n/an/a 2.43E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM81213
PNG
(1-nitro-3-[(3-nitrophenyl)disulfanyl]benzene | MLS...)
Show SMILES [O-][N+](=O)c1cccc(SSc2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C12H8N2O4S2/c15-13(16)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(17)18/h1-8H
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n/an/a 3.73E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM88962
PNG
((6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(c...)
Show SMILES Nc1nc(cs1)C(=N/OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9+/t10-,14-/m1/s1
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n/an/a 4.25E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM61897
PNG
(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbox...)
Show SMILES CCC(=O)Nc1ccc(cc1)C(=O)COC(=O)c1nc2nccc(C)n2n1
Show InChI InChI=1S/C18H17N5O4/c1-3-15(25)20-13-6-4-12(5-7-13)14(24)10-27-17(26)16-21-18-19-9-8-11(2)23(18)22-16/h4-9H,3,10H2,1-2H3,(H,20,25)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM80066
PNG
(1-(4-methyl-3,5-dinitro-phenyl)-3-pyrroline-2,5-qu...)
Show SMILES Cc1c(cc(cc1[N+]([O-])=O)N1C(=O)C=CC1=O)[N+]([O-])=O
Show InChI InChI=1S/C11H7N3O6/c1-6-8(13(17)18)4-7(5-9(6)14(19)20)12-10(15)2-3-11(12)16/h2-5H,1H3
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n/an/a 6.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM283
PNG
(6-[(8-chloro-4-hydroxy-3-{[4-hydroxy-3-(3-methylbu...)
Show SMILES COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)
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n/an/a 7.01E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM95184
PNG
(2-amino-4-(2-chlorophenyl)-6-(5-methyl-2-furanyl)-...)
Show SMILES Cc1ccc(o1)-c1cc(-c2ccccc2Cl)c(C#N)c(N)n1
Show InChI InChI=1S/C17H12ClN3O/c1-10-6-7-16(22-10)15-8-12(13(9-19)17(20)21-15)11-4-2-3-5-14(11)18/h2-8H,1H3,(H2,20,21)
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n/an/a 7.76E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM95178
PNG
(5-bromanyl-N-[2-(2,4-dimethylphenyl)-4,6-dihydroth...)
Show SMILES Cc1ccc(c(C)c1)-n1nc2CSCc2c1NC(=O)c1ccc(Br)o1
Show InChI InChI=1S/C18H16BrN3O2S/c1-10-3-4-14(11(2)7-10)22-17(12-8-25-9-13(12)21-22)20-18(23)15-5-6-16(19)24-15/h3-7H,8-9H2,1-2H3,(H,20,23)
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n/an/a 8.03E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM81225
PNG
(2-(2-hydroxyphenyl)sulfinylsulfinylphenol | MLS002...)
Show SMILES Oc1ccccc1S(=O)S(=O)c1ccccc1O
Show InChI InChI=1S/C12H10O4S2/c13-9-5-1-3-7-11(9)17(15)18(16)12-8-4-2-6-10(12)14/h1-8,13-14H
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n/an/a 9.15E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM95186
PNG
(2-Chloro-5-{5-[(naphtho[2,1-b]furan-2-carbonyl)-hy...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1ccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)o1
Show InChI InChI=1S/C25H15ClN2O5/c26-20-8-5-15(11-19(20)25(30)31)21-10-7-16(32-21)13-27-28-24(29)23-12-18-17-4-2-1-3-14(17)6-9-22(18)33-23/h1-13H,(H,28,29)(H,30,31)/b27-13+
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n/an/a 1.07E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM47367
PNG
((4Z)-2-(3,4-dimethylphenyl)-4-[[2-(5-keto-3-thioxo...)
Show SMILES Cc1ccc(cc1C)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O
Show InChI InChI=1S/C27H21N5O3S/c1-15-11-12-17(13-16(15)2)32-25(34)19-8-4-3-7-18(19)21(26(32)35)14-28-22-10-6-5-9-20(22)23-24(33)29-27(36)31-30-23/h3-14,35H,1-2H3,(H2,29,31,33,36)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM88679
PNG
((7E)-7-[(2E)-2-(6-ethoxy-1-methyl-2-quinolinyliden...)
Show SMILES CCOc1ccc2N(C)\C(=C\C=C3/C=C(C)c4ccc[nH+]c4C3=O)C=Cc2c1
Show InChI InChI=1S/C24H22N2O2/c1-4-28-20-11-12-22-17(15-20)7-9-19(26(22)3)10-8-18-14-16(2)21-6-5-13-25-23(21)24(18)27/h5-15H,4H2,1-3H3/p+1/b18-8+,19-10+
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n/an/a 1.17E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM95187
PNG
(2-Amino-benzoic acid N'-((Z)-2-hydroxy-4-oxo-4...)
Show SMILES Nc1ccccc1C(=O)NNC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C17H15N3O4/c18-13-9-5-4-8-12(13)16(23)19-20-17(24)15(22)10-14(21)11-6-2-1-3-7-11/h1-9H,10,18H2,(H,19,23)(H,20,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM61528
PNG
(MLS000862515 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3cccnc3)cc2)c1C
Show InChI InChI=1S/C28H25N5O4S/c1-16-12-17(2)26-23(13-16)24(14-25(31-26)20-6-5-11-29-15-20)27(34)30-21-7-9-22(10-8-21)38(35,36)33-28-18(3)19(4)32-37-28/h5-15,33H,1-4H3,(H,30,34)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM95154
PNG
(3-[(3-fluorophenyl)methylsulfanylmethyl]-7-[3-meth...)
Show SMILES CC1CN(CCN1c1cccc(C)c1)C(=O)c1ccc2NC(CSCc3cccc(F)c3)C(=O)Nc2c1
Show InChI InChI=1S/C29H31FN4O2S/c1-19-5-3-8-24(13-19)34-12-11-33(16-20(34)2)29(36)22-9-10-25-26(15-22)32-28(35)27(31-25)18-37-17-21-6-4-7-23(30)14-21/h3-10,13-15,20,27,31H,11-12,16-18H2,1-2H3,(H,32,35)
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n/an/a 1.38E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM52889
PNG
(4-(7-hydrocinnamoyloxy-6,8-diketo-7-methyl-isochro...)
Show SMILES COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1
Show InChI InChI=1S/C24H24O7/c1-24(31-22(27)12-11-16-7-4-3-5-8-16)20(25)14-17-13-18(9-6-10-21(26)29-2)30-15-19(17)23(24)28/h3-5,7-8,13-15H,6,9-12H2,1-2H3
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n/an/a 1.42E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM83188
PNG
((3Z)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CC1CCCCC1NC(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C27H28N2O4/c1-17-7-2-4-10-22(17)28-24(30)16-33-27(31)25-20-9-3-5-11-23(20)29-26-18(12-13-21(25)26)15-19-8-6-14-32-19/h3,5-6,8-9,11,14-15,17,22H,2,4,7,10,12-13,16H2,1H3,(H,28,30)/b18-15-
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n/an/a 1.46E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM83905
PNG
(4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[1-(1-naphth...)
Show SMILES Cc1[nH][nH]c(=O)c1C(c1cn(Cc2cccc3ccccc23)c2ccccc12)c1c(C)[nH][nH]c1=O
Show InChI InChI=1S/C28H21N5O2/c1-16-24(27(34)31-29-16)26(25-17(2)30-32-28(25)35)22-15-33(23-13-6-5-12-21(22)23)14-19-10-7-9-18-8-3-4-11-20(18)19/h3-13,15,26H,14H2,1-2H3
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n/an/a 1.47E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM50548
PNG
(MLS001017412 | N-[(E)-1-(2-furyl)ethylideneamino]-...)
Show SMILES CC(N=Nc1cccc(c1)C(=O)NN=C(C)c1ccco1)c1ccco1
Show InChI InChI=1S/C19H18N4O3/c1-13(17-8-4-10-25-17)20-22-16-7-3-6-15(12-16)19(24)23-21-14(2)18-9-5-11-26-18/h3-13H,1-2H3,(H,23,24)
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n/an/a 1.48E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM29685
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
Show InChI InChI=1S/C25H24N2O4/c28-22(26-17-6-1-2-7-17)15-31-25(29)23-19-9-3-4-10-21(19)27-24-16(11-12-20(23)24)14-18-8-5-13-30-18/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,26,28)/b16-14+
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n/an/a 1.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM70614
PNG
(2-(3,4-dimethylphenyl)-4-[[1-(3,4-dimethylphenyl)-...)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C31H32N4O3/c1-17-10-12-24(14-19(17)3)34-30(37)27(21(5)32-34)29(23-8-7-9-26(36)16-23)28-22(6)33-35(31(28)38)25-13-11-18(2)20(4)15-25/h7-16,29,32-33,36H,1-6H3
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n/an/a 1.51E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM33116
PNG
((E)-3-(5-methyl-2-furanyl)-N-[3-[[(E)-3-(5-methyl-...)
Show SMILES Cc1ccc(\C=C\C(=O)Nc2ccc(c(NC(=O)\C=C\c3ccc(C)o3)c2)[N+]([O-])=O)o1
Show InChI InChI=1S/C22H19N3O6/c1-14-3-6-17(30-14)8-11-21(26)23-16-5-10-20(25(28)29)19(13-16)24-22(27)12-9-18-7-4-15(2)31-18/h3-13H,1-2H3,(H,23,26)(H,24,27)/b11-8+,12-9+
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n/an/a 1.53E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM37848
PNG
(2-[[3-carbethoxy-4-(4-phenylphenyl)-2-thienyl]carb...)
Show SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(O3)C2C(O)=O)scc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H25NO6S/c1-2-33-27(32)21-18(17-10-8-16(9-11-17)15-6-4-3-5-7-15)14-35-25(21)28-24(29)22-19-12-13-20(34-19)23(22)26(30)31/h3-11,14,19-20,22-23H,2,12-13H2,1H3,(H,28,29)(H,30,31)
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n/an/a 1.53E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM51992
PNG
(3-[[(E)-[2-(4-bromobenzyl)oxybenzylidene]amino]thi...)
Show SMILES OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1
Show InChI InChI=1S/C22H18BrN3O3S/c23-18-10-8-15(9-11-18)14-29-20-7-2-1-4-17(20)13-24-26-22(30)25-19-6-3-5-16(12-19)21(27)28/h1-13H,14H2,(H,27,28)(H2,25,26,30)
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n/an/a 1.54E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM45519
PNG
(2-(2,4-dimethylphenyl)-N-(4-{[(5-methyl-3-isoxazol...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccc(C)cc3C)cc2)no1
Show InChI InChI=1S/C28H24N4O4S/c1-17-8-13-22(18(2)14-17)26-16-24(23-6-4-5-7-25(23)30-26)28(33)29-20-9-11-21(12-10-20)37(34,35)32-27-15-19(3)36-31-27/h4-16H,1-3H3,(H,29,33)(H,31,32)
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n/an/a 1.54E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM82868
PNG
(4-[(2-ketoindol-3-yl)amino]-N-thiazol-2-yl-benzene...)
Show SMILES O=C1N=c2ccccc2=C1Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C17H12N4O3S2/c22-16-15(13-3-1-2-4-14(13)20-16)19-11-5-7-12(8-6-11)26(23,24)21-17-18-9-10-25-17/h1-10H,(H,18,21)(H,19,20,22)
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n/an/a 1.55E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM80054
PNG
(2-[[4-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-...)
Show SMILES CCOc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C22H20N4O7S/c1-2-33-16-9-7-15(8-10-16)14-23-24-20-12-11-17(13-21(20)26(29)30)34(31,32)25-19-6-4-3-5-18(19)22(27)28/h3-13,25H,2,14H2,1H3,(H,27,28)
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n/an/a 1.56E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM95127
PNG
(5-(2,5-dichlorobenzyl)-4-methyl-4-thiazoline-2-thi...)
Show SMILES Cc1nc(S)sc1Cc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C11H9Cl2NS2/c1-6-10(16-11(15)14-6)5-7-4-8(12)2-3-9(7)13/h2-4H,5H2,1H3,(H,14,15)
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n/an/a 1.57E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM95173
PNG
(MLS000438847 | SMR000452599 | [3-(4-cyanophenyl)-7...)
Show SMILES CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(OC=C2C1=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H19NO5/c1-23(29-22(27)16-4-2-3-5-16)20(25)11-17-10-19(28-13-18(17)21(23)26)15-8-6-14(12-24)7-9-15/h6-11,13,16H,2-5H2,1H3
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n/an/a 1.57E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM51991
PNG
(3-[[(E)-[2-(3-bromobenzyl)oxybenzylidene]amino]thi...)
Show SMILES OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2cccc(Br)c2)c1
Show InChI InChI=1S/C22H18BrN3O3S/c23-18-8-3-5-15(11-18)14-29-20-10-2-1-6-17(20)13-24-26-22(30)25-19-9-4-7-16(12-19)21(27)28/h1-13H,14H2,(H,27,28)(H2,25,26,30)
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n/an/a 1.58E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM35463
PNG
(2-(2-furanyl)-4-quinolinecarboxylic acid [2-(4-ami...)
Show SMILES Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
Show InChI InChI=1S/C22H18N4O6/c1-25-19(23)18(20(28)26(2)22(25)30)16(27)11-32-21(29)13-10-15(17-8-5-9-31-17)24-14-7-4-3-6-12(13)14/h3-10H,11,23H2,1-2H3
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n/an/a 1.59E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM95133
PNG
(2-azanylidene-3-[5-[(2-chlorophenyl)methyl]-1,3-th...)
Show SMILES Clc1ccccc1Cc1cnc(s1)N1C(=N)SC(C1=O)c1ccccc1
Show InChI InChI=1S/C19H14ClN3OS2/c20-15-9-5-4-8-13(15)10-14-11-22-19(25-14)23-17(24)16(26-18(23)21)12-6-2-1-3-7-12/h1-9,11,16,21H,10H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM76914
PNG
(MLS000087888 | N-[2-(4-methylphenyl)-2,6-dihydro-4...)
Show SMILES Cc1ccc(cc1)-n1nc2CSCc2c1NC(=O)c1cccs1
Show InChI InChI=1S/C17H15N3OS2/c1-11-4-6-12(7-5-11)20-16(13-9-22-10-14(13)19-20)18-17(21)15-3-2-8-23-15/h2-8H,9-10H2,1H3,(H,18,21)
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n/an/a 1.62E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM95193
PNG
(4-methyl-N-[4-[(3-naphthalen-2-ylimidazo[1,2-a]pyr...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2nccn3c(cnc23)-c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C29H23N5O2S/c1-20-6-14-26(15-7-20)37(35,36)33-25-12-10-24(11-13-25)32-28-29-31-19-27(34(29)17-16-30-28)23-9-8-21-4-2-3-5-22(21)18-23/h2-19,33H,1H3,(H,30,32)
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n/an/a 1.63E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM59956
PNG
(4-[[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxidany...)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(cc2)N=Cc2c(C)[nH]n(-c3ccc(C)c(C)c3)c2=O)s1
Show InChI InChI=1S/C23H24N6O3S2/c1-5-21-25-26-23(33-21)28-34(31,32)19-10-7-17(8-11-19)24-13-20-16(4)27-29(22(20)30)18-9-6-14(2)15(3)12-18/h6-13,27H,5H2,1-4H3,(H,26,28)
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n/an/a 1.65E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM29677
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C24H21N3O4/c1-27(12-5-11-25)21(28)15-31-24(29)22-18-7-2-3-8-20(18)26-23-16(9-10-19(22)23)14-17-6-4-13-30-17/h2-4,6-8,13-14H,5,9-10,12,15H2,1H3/b16-14+
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n/an/a 1.69E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM83184
PNG
((3Z)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES O=C(COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12)NC1CCCC1
Show InChI InChI=1S/C25H24N2O4/c28-22(26-17-6-1-2-7-17)15-31-25(29)23-19-9-3-4-10-21(19)27-24-16(11-12-20(23)24)14-18-8-5-13-30-18/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,26,28)/b16-14-
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n/an/a 1.69E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
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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n/an/a 1.70E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM95162
PNG
(2-[(2-methylphenyl)methylsulfanylmethyl]-3-oxidany...)
Show SMILES Cc1ccccc1CSCC1Nc2ccc(cc2NC1=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C26H27N3O2S/c1-18-7-5-6-10-21(18)16-32-17-24-26(31)29-23-15-20(11-12-22(23)28-24)25(30)27-14-13-19-8-3-2-4-9-19/h2-12,15,24,28H,13-14,16-17H2,1H3,(H,27,30)(H,29,31)
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n/an/a 1.72E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM95151
PNG
((8S)-7-[2-(4-chloranylphenoxy)ethanoyl]-3-[3-[[(2Z...)
Show SMILES C\C=C/C=C\C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)COc2ccc(Cl)cc2)C(N)=O)C1
Show InChI InChI=1S/C27H27ClN4O5/c1-2-3-4-8-24(33)30-20-7-5-6-18(13-20)22-14-27(37-31-22)15-23(26(29)35)32(17-27)25(34)16-36-21-11-9-19(28)10-12-21/h2-13,23H,14-17H2,1H3,(H2,29,35)(H,30,33)/b3-2-,8-4-/t23-,27?/m0/s1
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n/an/a 1.73E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM76088
PNG
(MLS-0295640.0001 | N-[4-[(3,4-dimethyl-1,2-oxazol-...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)c2ccccc2n1
Show InChI InChI=1S/C28H24N4O5S/c1-17-18(2)31-37-28(17)32-38(34,35)22-14-10-20(11-15-22)29-27(33)24-16-26(19-8-12-21(36-3)13-9-19)30-25-7-5-4-6-23(24)25/h4-16,32H,1-3H3,(H,29,33)
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n/an/a 1.73E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM95192
PNG
(4-[[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxidany...)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C22H21N5O3S2/c1-14-4-7-18(12-15(14)2)27-21(28)20(16(3)25-27)13-24-17-5-8-19(9-6-17)32(29,30)26-22-23-10-11-31-22/h4-13,25H,1-3H3,(H,23,26)/b24-13+
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n/an/a 1.74E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM95096
PNG
(5-bromanyl-N-[2-(3-methylphenyl)-4,6-dihydrothieno...)
Show SMILES Cc1cccc(c1)-n1nc2CSCc2c1NC(=O)c1ccc(Br)o1
Show InChI InChI=1S/C17H14BrN3O2S/c1-10-3-2-4-11(7-10)21-16(12-8-24-9-13(12)20-21)19-17(22)14-5-6-15(18)23-14/h2-7H,8-9H2,1H3,(H,19,22)
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n/an/a 1.75E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM52518
PNG
(MLS000529895 | N'-(4,5-dimethyl-1,3-benzothiazol-2...)
Show SMILES Cc1ccc2sc(NNC(=O)c3cc(=O)c4ccccc4o3)nc2c1C
Show InChI InChI=1S/C19H15N3O3S/c1-10-7-8-16-17(11(10)2)20-19(26-16)22-21-18(24)15-9-13(23)12-5-3-4-6-14(12)25-15/h3-9H,1-2H3,(H,20,22)(H,21,24)
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n/an/a 1.77E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM37751
PNG
(MLS000095654 | N-[2-(2,3-dimethylphenyl)-2,6-dihyd...)
Show SMILES Cc1cccc(c1C)-n1nc2CSCc2c1NC(=O)c1ccco1
Show InChI InChI=1S/C18H17N3O2S/c1-11-5-3-6-15(12(11)2)21-17(13-9-24-10-14(13)20-21)19-18(22)16-7-4-8-23-16/h3-8H,9-10H2,1-2H3,(H,19,22)
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n/an/a 1.78E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM83190
PNG
((3Z)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C24H21N3O4/c1-27(12-5-11-25)21(28)15-31-24(29)22-18-7-2-3-8-20(18)26-23-16(9-10-19(22)23)14-17-6-4-13-30-17/h2-4,6-8,13-14H,5,9-10,12,15H2,1H3/b16-14-
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n/an/a 1.80E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM50280
PNG
(2-(2-furanyl)-N-(4-methyl-2-thiazolyl)-4-quinoline...)
Show SMILES Cc1csc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)n1
Show InChI InChI=1S/C18H13N3O2S/c1-11-10-24-18(19-11)21-17(22)13-9-15(16-7-4-8-23-16)20-14-6-3-2-5-12(13)14/h2-10H,1H3,(H,19,21,22)
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n/an/a 1.84E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM50362
PNG
(2-[2-[3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydr...)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1nc(c(CC(O)=O)s1)-c1ccccc1
Show InChI InChI=1S/C25H21N3O4S/c1-31-18-11-9-16(10-12-18)19-14-20(21-8-5-13-32-21)28(27-19)25-26-24(17-6-3-2-4-7-17)22(33-25)15-23(29)30/h2-13,20H,14-15H2,1H3,(H,29,30)
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n/an/a 1.85E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM29682
PNG
(2-(dichloromethyl)-7-(phenylmethyl)-3,5,6,8-tetrah...)
Show SMILES ClC(Cl)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)[nH]1
Show InChI InChI=1S/C17H15Cl2N3OS/c18-14(19)15-20-16(23)13-11-6-7-22(8-10-4-2-1-3-5-10)9-12(11)24-17(13)21-15/h1-5,14H,6-9H2,(H,20,21,23)
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n/an/a 1.87E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
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