Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'gill' and Initial = 'sk'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
DNA-directed RNA polymerase subunit beta (Mycobacterium tuberculosis)	BDBM50355756 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	503	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/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
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50370232 (BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...) 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:3,35| Show InChI InChI=1S/C43H58N4O12/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/h11-14,19-21,23-25,29,34-35,39,49-53H,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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Activation of human PXR in DPX2 cells after 24 hrs by microplate reader relative to control				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				3D Structure (crystal)
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50355759 (CHEMBL1911299) Show SMILES CNc1c(C)c2O[C@]3(C)O\C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(C)/C(=O)NC4=C(\C=N\N5CCN(C)CC5)C(=O)c(c2C3=O)c1C4=O |r,c:40,t:10,32,34| Show InChI InChI=1S/C44H59N5O11/c1-22-13-12-14-23(2)43(56)47-35-29(21-46-49-18-16-48(10)17-19-49)38(53)31-32(39(35)54)34(45-9)25(4)41-33(31)42(55)44(8,60-41)58-20-15-30(57-11)24(3)40(59-28(7)50)27(6)37(52)26(5)36(22)51/h12-15,20-22,24,26-27,30,36-37,40,45,51-52H,16-19H2,1-11H3,(H,47,56)/b13-12+,20-15+,23-14-,46-21+/t22-,24+,26+,27+,30-,36-,37+,40+,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Activation of human PXR in DPX2 cells after 24 hrs by microplate reader relative to control				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
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50355760 (CHEMBL1911307) Show SMILES CNc1c(C)c2O[C@]3(C)O\C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(C)/C(=O)Nc4c(O)c1c(c2C3=O)c(O)c4\C=N\N1CCN(C)CC1 |r,t:10,32,34| Show InChI InChI=1S/C44H61N5O11/c1-22-13-12-14-23(2)43(56)47-35-29(21-46-49-18-16-48(10)17-19-49)38(53)31-32(39(35)54)34(45-9)25(4)41-33(31)42(55)44(8,60-41)58-20-15-30(57-11)24(3)40(59-28(7)50)27(6)37(52)26(5)36(22)51/h12-15,20-22,24,26-27,30,36-37,40,45,51-54H,16-19H2,1-11H3,(H,47,56)/b13-12+,20-15+,23-14-,46-21+/t22-,24+,26+,27+,30-,36-,37+,40+,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Activation of human PXR in DPX2 cells after 24 hrs by microplate reader relative to control				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
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50386752 (CHEMBL2046887) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5c(OCCCCN6CCN(CC6)C(=O)Cn6ccnc6)cccc5oc4c(NC(=O)C(C)=CC=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,w:50.54,47.52,t:3| Show InChI InChI=1S/C56H68N6O14/c1-30-14-12-15-31(2)55(70)59-46-50(68)42-41(45-53(46)75-39-17-13-16-38(44(39)58-45)72-26-11-10-20-60-22-24-62(25-23-60)40(64)28-61-21-19-57-29-61)43-52(35(6)49(42)67)76-56(8,54(43)69)73-27-18-37(71-9)32(3)51(74-36(7)63)34(5)48(66)33(4)47(30)65/h12-19,21,27,29-30,32-34,37,47-48,51,65-67H,10-11,20,22-26,28H2,1-9H3,(H,59,70)/b14-12?,27-18+,31-15?/t30-,32+,33+,34+,37-,47-,48+,51+,56-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Activation of PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 55: 3814-26 (2012) Article DOI: 10.1021/jm201716n BindingDB Entry DOI: 10.7270/Q2GH9K0K
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50370232 (BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...) 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:3,35| Show InChI InChI=1S/C43H58N4O12/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/h11-14,19-21,23-25,29,34-35,39,49-53H,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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Activation of PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 55: 3814-26 (2012) Article DOI: 10.1021/jm201716n BindingDB Entry DOI: 10.7270/Q2GH9K0K
					More data for this Ligand-Target Pair				3D Structure (crystal)