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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for UniProtKB: P9WGY9   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
DNA-directed RNA polymerase subunit beta


(Mycobacterium tuberculosis)		BDBM50355756
PNG
(CHEMBL1909658)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(O)c3C |r,c:33,t:3,27,35|
Show InChI InChI=1S/C43H56N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-51H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay

Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Mycobacterium tuberculosis)		BDBM50355755
PNG
(CHEMBL1911296)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(SC)c3C |r,c:23,t:3,17,25|
Show InChI InChI=1S/C38H47NO11S/c1-17-12-11-13-18(2)37(46)39-24-16-25(41)27-28(32(24)44)35(51-10)22(6)34-29(27)36(45)38(8,50-34)48-15-14-26(47-9)19(3)33(49-23(7)40)21(5)31(43)20(4)30(17)42/h11-17,19-21,26,30-31,33,42-43H,1-10H3,(H,39,46)/b12-11+,15-14+,18-13-/t17-,19+,20+,21+,26-,30-,31+,33+,38-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay

Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Mycobacterium tuberculosis)		BDBM50355751
PNG
(CHEMBL1911286)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(OS(=O)(=O)c1ccc(C)cc1)c3C |r,c:23,t:3,17,25|
Show InChI InChI=1S/C44H51NO14S/c1-21-14-16-29(17-15-21)60(53,54)59-41-27(7)40-35-33-31(47)20-30(38(50)34(33)41)45-43(52)23(3)13-11-12-22(2)36(48)25(5)37(49)26(6)39(57-28(8)46)24(4)32(55-10)18-19-56-44(9,58-40)42(35)51/h11-20,22,24-26,32,36-37,39,48-49H,1-10H3,(H,45,52)/b12-11+,19-18+,23-13-/t22-,24+,25+,26+,32-,36-,37+,39+,44-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay

Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Mycobacterium tuberculosis)		BDBM50355758
PNG
(CHEMBL1911306)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c1nn(CCO)c(c3C)c21 |r,c:33,t:3,27,35|
Show InChI InChI=1S/C45H60N6O11/c1-23-12-11-13-24(2)44(58)47-35-30(22-46-50-17-15-49(9)16-18-50)40(56)32-33-36(35)48-51(19-20-52)37(33)26(4)42-34(32)43(57)45(8,62-42)60-21-14-31(59-10)25(3)41(61-29(7)53)28(6)39(55)27(5)38(23)54/h11-14,21-23,25,27-28,31,38-39,41,52,54-55H,15-20H2,1-10H3,(H,47,58)/b12-11+,21-14+,24-13-,46-22+/t23-,25+,27+,28+,31-,38-,39+,41+,45-/m0/s1
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n/an/a 139n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay

Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Mycobacterium tuberculosis)		BDBM50355757
PNG
(CHEMBL1911298)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(OS(=O)(=O)c1ccccc1)c3C |r,c:33,t:3,27,35|
Show InChI InChI=1S/C49H60N4O14S/c1-26-15-14-16-27(2)48(60)51-39-34(25-50-53-22-20-52(9)21-23-53)42(57)36-37(43(39)58)46(67-68(61,62)33-17-12-11-13-18-33)31(6)45-38(36)47(59)49(8,66-45)64-24-19-35(63-10)28(3)44(65-32(7)54)30(5)41(56)29(4)40(26)55/h11-19,24-26,28-30,35,40-41,44,55-56H,20-23H2,1-10H3,(H,51,60)/b15-14+,24-19+,27-16-,50-25+/t26-,28+,29+,30+,35-,40-,41+,44+,49-/m0/s1
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n/an/a 142n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay

Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Mycobacterium tuberculosis)		BDBM50355753
PNG
(CHEMBL1911289)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(N(C)C)c3C |r,c:23,t:3,17,25|
Show InChI InChI=1S/C39H50N2O11/c1-18-13-12-14-19(2)38(48)40-25-17-26(43)28-29(34(25)46)31(41(9)10)21(4)36-30(28)37(47)39(8,52-36)50-16-15-27(49-11)20(3)35(51-24(7)42)23(6)33(45)22(5)32(18)44/h12-18,20,22-23,27,32-33,35,44-45H,1-11H3,(H,40,48)/b13-12+,16-15+,19-14-/t18-,20+,22+,23+,27-,32-,33+,35+,39-/m0/s1
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n/an/a 503n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay

Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Mycobacterium tuberculosis)		BDBM50355752
PNG
(CHEMBL1911287)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(N)c3C |r,c:23,t:3,17,25|
Show InChI InChI=1S/C37H46N2O11/c1-16-11-10-12-17(2)36(46)39-23-15-24(41)26-27(32(23)44)29(38)19(4)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)40)21(6)31(43)20(5)30(16)42/h10-16,18,20-21,25,30-31,33,42-43H,38H2,1-9H3,(H,39,46)/b11-10+,14-13+,17-12-/t16-,18+,20+,21+,25-,30-,31+,33+,37-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay

Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase subunit beta


(Mycobacterium tuberculosis)		BDBM50355754
PNG
(CHEMBL1911295)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(NC1CCCCCC1)c3C |r,c:23,t:3,17,25|
Show InChI InChI=1S/C44H58N2O11/c1-22-15-14-16-23(2)43(53)46-30-21-31(48)33-34(39(30)51)36(45-29-17-12-10-11-13-18-29)25(4)41-35(33)42(52)44(8,57-41)55-20-19-32(54-9)24(3)40(56-28(7)47)27(6)38(50)26(5)37(22)49/h14-16,19-22,24,26-27,29,32,37-38,40,45,49-50H,10-13,17-18H2,1-9H3,(H,46,53)/b15-14+,20-19+,23-16-/t22-,24+,26+,27+,32-,37-,38+,40+,44-/m0/s1
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n/an/a 1.54E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay

Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair