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Compile Data Set for Download or QSAR

Found 105 hits Enz. Inhib. hit(s) with all data for entry = 3973   
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
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41193
PNG
(1-(2-Chloro-benzyl)-8-hydroxy-6-methyl-1H-[1,2,4]t...)
Show SMILES Cc1cc(O)c2[n+](Cc3ccccc3Cl)ncn2n1
Show InChI InChI=1S/C13H11ClN4O/c1-9-6-12(19)13-17(15-8-18(13)16-9)7-10-4-2-3-5-11(10)14/h2-6,8H,7H2,1H3/p+1
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n/an/a 6.42E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41200
PNG
(1-(4-Chloro-benzyl)-8-hydroxy-6-methyl-1H-[1,2,4]t...)
Show SMILES Cc1cc(O)c2[n+](Cc3ccc(Cl)cc3)ncn2n1
Show InChI InChI=1S/C13H11ClN4O/c1-9-6-12(19)13-17(15-8-18(13)16-9)7-10-2-4-11(14)5-3-10/h2-6,8H,7H2,1H3/p+1
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n/an/a 8.38E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 1.17E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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n/an/a 1.24E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41228
PNG
(2,3,5,6-tetrakis(2-furanyl)pyrazine | 2,3,5,6-tetr...)
Show SMILES c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
Show InChI InChI=1S/C20H12N2O4/c1-5-13(23-9-1)17-18(14-6-2-10-24-14)22-20(16-8-4-12-26-16)19(21-17)15-7-3-11-25-15/h1-12H
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n/an/a 1.26E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


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Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM32022
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
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n/an/a 1.44E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41221
PNG
(2-amino-4-butan-2-ylphenol | 2-amino-4-sec-butyl-p...)
Show SMILES CCC(C)c1ccc(O)c(N)c1
Show InChI InChI=1S/C10H15NO/c1-3-7(2)8-4-5-10(12)9(11)6-8/h4-7,12H,3,11H2,1-2H3
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n/an/a 1.76E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


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Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41255
PNG
(2,5-dimethoxy-N-(4-oxidanylnaphthalen-1-yl)benzene...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C18H17NO5S/c1-23-12-7-10-17(24-2)18(11-12)25(21,22)19-15-8-9-16(20)14-6-4-3-5-13(14)15/h3-11,19-20H,1-2H3
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n/an/a 1.82E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


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Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM34621
PNG
(1-cyclohexyl-3-[5-fluoranyl-4-oxidanylidene-5-(tri...)
Show SMILES FC(F)(F)C1(F)SC(NC(=O)NC2CCCCC2)=NC1=O |c:18|
Show InChI InChI=1S/C11H13F4N3O2S/c12-10(11(13,14)15)7(19)17-9(21-10)18-8(20)16-6-4-2-1-3-5-6/h6H,1-5H2,(H2,16,17,18,19,20)
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n/an/a 1.84E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


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Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41233
PNG
(1-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethy...)
Show SMILES Cc1csc(NC(=O)NC2(Oc3ccccc3O2)C(F)(F)F)n1
Show InChI InChI=1S/C13H10F3N3O3S/c1-7-6-23-11(17-7)18-10(20)19-13(12(14,15)16)21-8-4-2-3-5-9(8)22-13/h2-6H,1H3,(H2,17,18,19,20)
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n/an/a 2.30E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM32017
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
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n/an/a 2.32E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


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Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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n/an/a 2.38E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM34599
PNG
(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Show SMILES FC(F)(F)C1(NC(=O)Nc2cc(ncn2)N2CCOCC2)Oc2ccc(Cl)cc2O1
Show InChI InChI=1S/C17H15ClF3N5O4/c18-10-1-2-11-12(7-10)30-17(29-11,16(19,20)21)25-15(27)24-13-8-14(23-9-22-13)26-3-5-28-6-4-26/h1-2,7-9H,3-6H2,(H2,22,23,24,25,27)
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n/an/a 2.63E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM32063
PNG
(MLS000055599 | N-[2-[(5-chloro-2-pyridinyl)amino]-...)
Show SMILES CCOC(=O)NC1(Nc2ccc(Cl)cn2)Oc2ccccc2O1
Show InChI InChI=1S/C15H14ClN3O4/c1-2-21-14(20)19-15(18-13-8-7-10(16)9-17-13)22-11-5-3-4-6-12(11)23-15/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
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n/an/a 2.79E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41272
PNG
(MLS000111516 | N-(5-chloranyl-2,3-dimethyl-4-oxida...)
Show SMILES Cc1c(C)c(NS(=O)(=O)c2ccccc2)cc(Cl)c1O
Show InChI InChI=1S/C14H14ClNO3S/c1-9-10(2)14(17)12(15)8-13(9)16-20(18,19)11-6-4-3-5-7-11/h3-8,16-17H,1-2H3
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n/an/a 3.14E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM32099
PNG
(MLS000044274 | N-[5-chloranyl-2-(trifluoromethyl)-...)
Show SMILES FC(F)(F)C1(NC(=O)N2CCC3(CC2)OCCO3)Oc2ccc(Cl)cc2O1
Show InChI InChI=1S/C16H16ClF3N2O5/c17-10-1-2-11-12(9-10)27-16(26-11,15(18,19)20)21-13(23)22-5-3-14(4-6-22)24-7-8-25-14/h1-2,9H,3-8H2,(H,21,23)
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n/an/a 3.58E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


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Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM34412
PNG
(4-methoxy-N-(4-oxidanylnaphthalen-1-yl)benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C17H15NO4S/c1-22-12-6-8-13(9-7-12)23(20,21)18-16-10-11-17(19)15-5-3-2-4-14(15)16/h2-11,18-19H,1H3
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n/an/a 3.94E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41270
PNG
(MLS000111394 | N-(3-chloranyl-2,5-dimethyl-4-oxida...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2)c(C)c(Cl)c1O
Show InChI InChI=1S/C14H14ClNO3S/c1-9-8-12(10(2)13(15)14(9)17)16-20(18,19)11-6-4-3-5-7-11/h3-8,16-17H,1-2H3
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n/an/a 4.38E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41192
PNG
(2-[[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-...)
Show SMILES Clc1ccc(NCc2nnc(SCC(=O)Nc3nc4CCCCc4s3)o2)cc1
Show InChI InChI=1S/C18H18ClN5O2S2/c19-11-5-7-12(8-6-11)20-9-16-23-24-18(26-16)27-10-15(25)22-17-21-13-3-1-2-4-14(13)28-17/h5-8,20H,1-4,9-10H2,(H,21,22,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM40570
PNG
(2-(2-furanyl)-2,3-dihydro-1H-perimidine | 2-(2-fur...)
Show SMILES N1C(Nc2cccc3cccc1c23)c1ccco1
Show InChI InChI=1S/C15H12N2O/c1-4-10-5-2-7-12-14(10)11(6-1)16-15(17-12)13-8-3-9-18-13/h1-9,15-17H
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41194
PNG
((1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-naphth...)
Show SMILES Cn1ncc2c(Nc3ccc4ccccc4c3)ncnc12
Show InChI InChI=1S/C16H13N5/c1-21-16-14(9-19-21)15(17-10-18-16)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3,(H,17,18,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41195
PNG
(2-piperidin-1-ylethyl 3-methyl-1-benzofuran-2-carb...)
Show SMILES Cc1c(oc2ccccc12)C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C17H21NO3/c1-13-14-7-3-4-8-15(14)21-16(13)17(19)20-12-11-18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-12H2,1H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41196
PNG
(2-[[2-(4-butoxyanilino)-2-keto-ethyl]thio]acetic a...)
Show SMILES CCCCOc1ccc(NC(=O)CSCC(=O)OCC)cc1
Show InChI InChI=1S/C16H23NO4S/c1-3-5-10-21-14-8-6-13(7-9-14)17-15(18)11-22-12-16(19)20-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,18)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41198
PNG
(2-[[5-[(4-fluoroanilino)methyl]-4-(4-methylphenyl)...)
Show SMILES Cc1ccc(cc1)-n1c(CNc2ccc(F)cc2)nnc1SCC(=O)N1CCCC1
Show InChI InChI=1S/C22H24FN5OS/c1-16-4-10-19(11-5-16)28-20(14-24-18-8-6-17(23)7-9-18)25-26-22(28)30-15-21(29)27-12-2-3-13-27/h4-11,24H,2-3,12-15H2,1H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41199
PNG
(2-(3,4-dimethoxyphenyl)-3-ethanoyl-1-(2-methoxyeth...)
Show SMILES COCCN1C(C(C(C)=O)C(=O)C1=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C17H21NO6/c1-10(19)14-15(18(7-8-22-2)17(21)16(14)20)11-5-6-12(23-3)13(9-11)24-4/h5-6,9,14-15H,7-8H2,1-4H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41201
PNG
(2-[5-[(4-Ethoxy-phenylamino)-methyl]-4-(4-methoxy-...)
Show SMILES CCOc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)on3)n2-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C24H26N6O4S/c1-4-33-20-9-5-17(6-10-20)25-14-22-27-28-24(30(22)18-7-11-19(32-3)12-8-18)35-15-23(31)26-21-13-16(2)34-29-21/h5-13,25H,4,14-15H2,1-3H3,(H,26,29,31)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41202
PNG
(MLS000030899 | N-(2-furanylmethyl)-2-[[4-(4-methox...)
Show SMILES COc1ccc(cc1)-n1c(COc2cccc(C)c2)nnc1SCC(=O)NCc1ccco1
Show InChI InChI=1S/C24H24N4O4S/c1-17-5-3-6-20(13-17)32-15-22-26-27-24(28(22)18-8-10-19(30-2)11-9-18)33-16-23(29)25-14-21-7-4-12-31-21/h3-13H,14-16H2,1-2H3,(H,25,29)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41203
PNG
(2-(1,3-Dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahy...)
Show SMILES CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H24N6O3S2/c1-4-9-25-14-15(23(2)19(28)24(3)16(14)27)22-18(25)29-10-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h4-10H2,1-3H3,(H,20,21,26)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM50318688
PNG
(3-N-Morpholinocarbamate-4-morpholino-1,2,5-thiadia...)
Show SMILES O=C(Oc1nsnc1N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C11H16N4O4S/c16-11(15-3-7-18-8-4-15)19-10-9(12-20-13-10)14-1-5-17-6-2-14/h1-8H2
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41206
PNG
(2-ethoxy-2,2-diphenyl-acetic acid [3-(diethylamino...)
Show SMILES CCOC(C(=O)OCC(O)CN(CC)CC)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H31NO4/c1-4-24(5-2)17-21(25)18-27-22(26)23(28-6-3,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21,25H,4-6,17-18H2,1-3H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41207
PNG
(MLS000079915 | N-(1H-benzimidazol-2-ylmethyl)-2-fu...)
Show SMILES O=C(NCc1nc2ccccc2[nH]1)c1ccco1
Show InChI InChI=1S/C13H11N3O2/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41208
PNG
(1-acetyl-6-hydroxy-2-(methylthio)-5-p-anisyl-pyrim...)
Show SMILES COc1ccc(Cc2c(O)nc(SC)n(C(C)=O)c2=O)cc1
Show InChI InChI=1S/C15H16N2O4S/c1-9(18)17-14(20)12(13(19)16-15(17)22-3)8-10-4-6-11(21-2)7-5-10/h4-7,19H,8H2,1-3H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41209
PNG
(2-morpholino-N-(m-tolyl)cinchoninamide | MLS000027...)
Show SMILES Cc1cccc(NC(=O)c2cc(nc3ccccc23)N2CCOCC2)c1
Show InChI InChI=1S/C21H21N3O2/c1-15-5-4-6-16(13-15)22-21(25)18-14-20(24-9-11-26-12-10-24)23-19-8-3-2-7-17(18)19/h2-8,13-14H,9-12H2,1H3,(H,22,25)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41210
PNG
(2-amino-4-tert-butyl-phenol | 2-amino-4-tert-butyl...)
Show SMILES CC(C)(C)c1ccc(O)c(N)c1
Show InChI InChI=1S/C10H15NO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,11H2,1-3H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41211
PNG
(1-[3-[1-cyano-2-(1-methoxypropan-2-yloxy)-2-oxoeth...)
Show SMILES CCOC(=O)C1CCCN(C1)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)COC
Show InChI InChI=1S/C23H28N4O5/c1-4-31-22(28)16-8-7-11-27(13-16)21-20(25-18-9-5-6-10-19(18)26-21)17(12-24)23(29)32-15(2)14-30-3/h5-6,9-10,15-17H,4,7-8,11,13-14H2,1-3H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41212
PNG
(1-(3-pyridinyl)-N-(1,2,4-triazol-4-yl)ethanimine |...)
Show SMILES CC(=Nn1cnnc1)c1cccnc1 |w:2.2|
Show InChI InChI=1S/C9H9N5/c1-8(9-3-2-4-10-5-9)13-14-6-11-12-7-14/h2-7H,1H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41213
PNG
(MLS000037313 | N-[4-[1-oxo-2-[(4-prop-2-enyl-5-thi...)
Show SMILES C=CCn1c(SCC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nnc1-c1cccs1
Show InChI InChI=1S/C23H20N4O3S3/c1-2-14-27-22(21-9-6-15-31-21)24-25-23(27)32-16-20(28)17-10-12-18(13-11-17)26-33(29,30)19-7-4-3-5-8-19/h2-13,15,26H,1,14,16H2
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41273
PNG
(1-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phen...)
Show SMILES COc1nc(Nc2ccc(cc2)C(C)=O)nc(OC)n1
Show InChI InChI=1S/C13H14N4O3/c1-8(18)9-4-6-10(7-5-9)14-11-15-12(19-2)17-13(16-11)20-3/h4-7H,1-3H3,(H,14,15,16,17)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41274
PNG
(3-methylbutyl 4-acetamidobenzoate | 4-acetamidoben...)
Show SMILES CC(C)CCOC(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H19NO3/c1-10(2)8-9-18-14(17)12-4-6-13(7-5-12)15-11(3)16/h4-7,10H,8-9H2,1-3H3,(H,15,16)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41275
PNG
(14-hydroxy-7-hydroxyimino-14-azadispiro[5.1.5^{8}....)
Show SMILES ON1C(=O)C2(CCCCC2)C(N=O)C11CCCC=C1 |c:19|
Show InChI InChI=1S/C14H20N2O3/c17-12-13(7-3-1-4-8-13)11(15-18)14(16(12)19)9-5-2-6-10-14/h5,9,11,19H,1-4,6-8,10H2
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41276
PNG
((6E)-6-[(5-ethyl-2-hydroxy-anilino)methylene]cyclo...)
Show SMILES CCc1ccc(O)c(c1)N=Cc1ccccc1O |w:9.9|
Show InChI InChI=1S/C15H15NO2/c1-2-11-7-8-15(18)13(9-11)16-10-12-5-3-4-6-14(12)17/h3-10,17-18H,2H2,1H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41277
PNG
(1-(1-adamantyl)-3-(3-morpholin-4-ylpropyl)urea | 1...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NCCCN1CCOCC1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
Show InChI InChI=1S/C18H31N3O2/c22-17(19-2-1-3-21-4-6-23-7-5-21)20-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,1-13H2,(H2,19,20,22)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41278
PNG
(1-[3-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazi...)
Show SMILES CC(=O)C1Sc2ccc(cc2N=C1C)C(F)(F)F |c:12|
Show InChI InChI=1S/C12H10F3NOS/c1-6-11(7(2)17)18-10-4-3-8(12(13,14)15)5-9(10)16-6/h3-5,11H,1-2H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41214
PNG
(2,6-dimethyl-4-[1-(phenylsulfonyl)piperidin-4-yl]m...)
Show SMILES CC1CN(CC(C)O1)C1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H26N2O3S/c1-14-12-18(13-15(2)22-14)16-8-10-19(11-9-16)23(20,21)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41215
PNG
(4-[2-(4-methylquinolin-2-yl)oxyethyl]morpholine;hy...)
Show SMILES Cc1cc(OCCN2CCOCC2)nc2ccccc12
Show InChI InChI=1S/C16H20N2O2/c1-13-12-16(17-15-5-3-2-4-14(13)15)20-11-8-18-6-9-19-10-7-18/h2-5,12H,6-11H2,1H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41216
PNG
(MLS000078196 | SMR000041686 | cid_661089)
Show SMILES CCOc1ccc(cc1)-n1c2nc3ccccc3nc2c2c1ncn(Cc1ccco1)c2=O
Show InChI InChI=1S/C25H19N5O3/c1-2-32-17-11-9-16(10-12-17)30-23-21(22-24(30)28-20-8-4-3-7-19(20)27-22)25(31)29(15-26-23)14-18-6-5-13-33-18/h3-13,15H,2,14H2,1H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM34256
PNG
(MLS000077500 | N-[3-[(1,1-diketothiolan-3-yl)carba...)
Show SMILES O=C(Nc1sc2CCCCc2c1C(=O)NC1CCS(=O)(=O)C1)C1COc2ccccc2O1
Show InChI InChI=1S/C22H24N2O6S2/c25-20(17-11-29-15-6-2-3-7-16(15)30-17)24-22-19(14-5-1-4-8-18(14)31-22)21(26)23-13-9-10-32(27,28)12-13/h2-3,6-7,13,17H,1,4-5,8-12H2,(H,23,26)(H,24,25)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41217
PNG
((2E)-2-[5-(2-chlorobenzyl)-4-keto-thiazolidin-2-yl...)
Show SMILES CC(=O)C(C#N)=C1NC(=O)C(Cc2ccccc2Cl)S1 |w:6.20|
Show InChI InChI=1S/C14H11ClN2O2S/c1-8(18)10(7-16)14-17-13(19)12(20-14)6-9-4-2-3-5-11(9)15/h2-5,12H,6H2,1H3,(H,17,19)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41218
PNG
(2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfan...)
Show SMILES Clc1ccc(cc1)C(=O)CSc1nc(ccc1C#N)-c1ccco1
Show InChI InChI=1S/C18H11ClN2O2S/c19-14-6-3-12(4-7-14)16(22)11-24-18-13(10-20)5-8-15(21-18)17-2-1-9-23-17/h1-9H,11H2
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Escherichia coli)		BDBM41219
PNG
(2-benzamido-N-(3-imidazol-1-ylpropyl)benzamide | 2...)
Show SMILES O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccccc1
Show InChI InChI=1S/C20H20N4O2/c25-19(16-7-2-1-3-8-16)23-18-10-5-4-9-17(18)20(26)22-11-6-13-24-14-12-21-15-24/h1-5,7-10,12,14-15H,6,11,13H2,(H,22,26)(H,23,25)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair
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