Compile Data Set for Download or QSAR

Found 20 hits of ic50 for UniProtKB: P9WGZ1   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
DNA-directed RNA polymerase subunit alpha ()	BDBM466519 (US10800725, Compound 7) Show SMILES CC(C)CCC1=C(O)C(CCC(C)C)(CCC(C)C)C(=O)C(C(=O)CCc2ccccc2C)=C1O |c:5,33| Show InChI InChI=1S/C31H46O4/c1-20(2)12-14-25-28(33)27(26(32)15-13-24-11-9-8-10-23(24)7)30(35)31(29(25)34,18-16-21(3)4)19-17-22(5)6/h8-11,20-22,33-34H,12-19H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466524 (US10800725, Compound 12) Show SMILES CC(C)CCC1=C(O)C(CCC(C)C)(CCC(C)C)C(=O)C(C(=O)CCc2ccc(cc2)C(F)(F)F)=C1O |c:5,36| Show InChI InChI=1S/C31H43F3O4/c1-19(2)7-13-24-27(36)26(25(35)14-10-22-8-11-23(12-9-22)31(32,33)34)29(38)30(28(24)37,17-15-20(3)4)18-16-21(5)6/h8-9,11-12,19-21,36-37H,7,10,13-18H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466521 (US10800725, Compound 9) Show SMILES CC(C)CCC1=C(O)C(CCC(C)C)(CCC(C)C)C(=O)C(C(=O)CCc2ccc(C)cc2)=C1O |c:5,33| Show InChI InChI=1S/C31H46O4/c1-20(2)8-14-25-28(33)27(26(32)15-13-24-11-9-23(7)10-12-24)30(35)31(29(25)34,18-16-21(3)4)19-17-22(5)6/h9-12,20-22,33-34H,8,13-19H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466520 (US10800725, Compound 8) Show SMILES CC(C)CCC1=C(O)C(CCC(C)C)(CCC(C)C)C(=O)C(C(=O)CCc2cccc(C)c2)=C1O |c:5,33| Show InChI InChI=1S/C31H46O4/c1-20(2)11-13-25-28(33)27(26(32)14-12-24-10-8-9-23(7)19-24)30(35)31(29(25)34,17-15-21(3)4)18-16-22(5)6/h8-10,19-22,33-34H,11-18H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466522 (US10800725, Compound 10) Show SMILES CC(C)CCC1=C(O)C(CCC(C)C)(CCC(C)C)C(=O)C(C(=O)CCc2ccc(F)cc2)=C1O |c:5,33| Show InChI InChI=1S/C30H43FO4/c1-19(2)7-13-24-27(33)26(25(32)14-10-22-8-11-23(31)12-9-22)29(35)30(28(24)34,17-15-20(3)4)18-16-21(5)6/h8-9,11-12,19-21,33-34H,7,10,13-18H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466526 (US10800725, Compound 14) Show SMILES CCCCC1=C(O)C(CCCC)(CCCC)C(=O)C(C(=O)CCc2ccc(Cl)cc2)=C1O |c:4,30| Show InChI InChI=1S/C27H37ClO4/c1-4-7-10-21-24(30)23(22(29)16-13-19-11-14-20(28)15-12-19)26(32)27(25(21)31,17-8-5-2)18-9-6-3/h11-12,14-15,30-31H,4-10,13,16-18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466515 (US10800725, Compound 3) Show SMILES CC(C)CCC1=C(O)C(CCC(C)C)(CCC(C)C)C(=O)C(C(=O)CCc2ccc(Cl)cc2)=C1O |c:5,33| Show InChI InChI=1S/C30H43ClO4/c1-19(2)7-13-24-27(33)26(25(32)14-10-22-8-11-23(31)12-9-22)29(35)30(28(24)34,17-15-20(3)4)18-16-21(5)6/h8-9,11-12,19-21,33-34H,7,10,13-18H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466523 (US10800725, Compound 11) Show SMILES CC(C)CCC1=C(O)C(CCC(C)C)(CCC(C)C)C(=O)C(C(=O)CCc2ccc(Br)cc2)=C1O |c:5,33| Show InChI InChI=1S/C30H43BrO4/c1-19(2)7-13-24-27(33)26(25(32)14-10-22-8-11-23(31)12-9-22)29(35)30(28(24)34,17-15-20(3)4)18-16-21(5)6/h8-9,11-12,19-21,33-34H,7,10,13-18H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466517 (US10800725, Compound 5) Show SMILES COc1cccc(CCC(=O)C2=C(O)C(CCC(C)C)=C(O)C(CCC(C)C)(CCC(C)C)C2=O)c1 |c:11,t:19| Show InChI InChI=1S/C31H46O5/c1-20(2)11-13-25-28(33)27(26(32)14-12-23-9-8-10-24(19-23)36-7)30(35)31(29(25)34,17-15-21(3)4)18-16-22(5)6/h8-10,19-22,33-34H,11-18H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466518 (US10800725, Compound 6) Show SMILES COc1ccc(CCC(=O)C2=C(O)C(CCC(C)C)=C(O)C(CCC(C)C)(CCC(C)C)C2=O)cc1 |c:10,t:18| Show InChI InChI=1S/C31H46O5/c1-20(2)8-14-25-28(33)27(26(32)15-11-23-9-12-24(36-7)13-10-23)30(35)31(29(25)34,18-16-21(3)4)19-17-22(5)6/h9-10,12-13,20-22,33-34H,8,11,14-19H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466513 (US10800725, Compound 1) Show SMILES CC(C)CCC1=C(O)C(CCC(C)C)(CCC(C)C)C(=O)C(C(=O)CCc2ccccc2Cl)=C1O |c:5,33| Show InChI InChI=1S/C30H43ClO4/c1-19(2)11-13-23-27(33)26(25(32)14-12-22-9-7-8-10-24(22)31)29(35)30(28(23)34,17-15-20(3)4)18-16-21(5)6/h7-10,19-21,33-34H,11-18H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466525 (US10800725, Compound 13) Show SMILES CCCC1=C(O)C(CCC)(CCC)C(=O)C(C(=O)CCc2ccc(Cl)cc2)=C1O |c:3,27| Show InChI InChI=1S/C24H31ClO4/c1-4-7-18-21(27)20(19(26)13-10-16-8-11-17(25)12-9-16)23(29)24(14-5-2,15-6-3)22(18)28/h8-9,11-12,27-28H,4-7,10,13-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466516 (US10800725, Compound 4) Show SMILES COc1ccccc1CCC(=O)C1=C(O)C(CCC(C)C)=C(O)C(CCC(C)C)(CCC(C)C)C1=O |c:13,t:21| Show InChI InChI=1S/C31H46O5/c1-20(2)12-14-24-28(33)27(25(32)15-13-23-10-8-9-11-26(23)36-7)30(35)31(29(24)34,18-16-21(3)4)19-17-22(5)6/h8-11,20-22,33-34H,12-19H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466514 (US10800725, Compound 2) Show SMILES CC(C)CCC1=C(O)C(CCC(C)C)(CCC(C)C)C(=O)C(C(=O)CCc2cccc(Cl)c2)=C1O |c:5,33| Show InChI InChI=1S/C30H43ClO4/c1-19(2)10-12-24-27(33)26(25(32)13-11-22-8-7-9-23(31)18-22)29(35)30(28(24)34,16-14-20(3)4)17-15-21(5)6/h7-9,18-21,33-34H,10-17H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466507 (US10800725, Compound 15) Show SMILES CC(C)CCC1=C(O)C(CCC(C)C)(CCC(C)C)C(=O)C(C(=O)CCc2ccccc2)=C1O |c:5,32| Show InChI InChI=1S/C30H44O4/c1-20(2)12-14-24-27(32)26(25(31)15-13-23-10-8-7-9-11-23)29(34)30(28(24)33,18-16-21(3)4)19-17-22(5)6/h7-11,20-22,32-33H,12-19H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466511 (US10800725, Compound 19) Show SMILES CCCCCC1=C(O)C(CCCCC)(CCCCC)C(=O)C(C(=O)CCc2ccccc2)=C1O |c:5,32| Show InChI InChI=1S/C30H44O4/c1-4-7-11-18-24-27(32)26(25(31)20-19-23-16-12-10-13-17-23)29(34)30(28(24)33,21-14-8-5-2)22-15-9-6-3/h10,12-13,16-17,32-33H,4-9,11,14-15,18-22H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466512 (US10800725, Compound 20) Show SMILES CC(C)CCC1=C(O)C(CCC(C)C)(CCC(C)C)C(=O)C(C(=O)C(C)Cc2ccccc2)=C1O |c:5,33| Show InChI InChI=1S/C31H46O4/c1-20(2)13-14-25-28(33)26(27(32)23(7)19-24-11-9-8-10-12-24)30(35)31(29(25)34,17-15-21(3)4)18-16-22(5)6/h8-12,20-23,33-34H,13-19H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466510 (US10800725, Compound 18) Show SMILES CCCCC1=C(O)C(CCCC)(CCCC)C(=O)C(C(=O)CCc2ccccc2)=C1O |c:4,29| Show InChI InChI=1S/C27H38O4/c1-4-7-15-21-24(29)23(22(28)17-16-20-13-11-10-12-14-20)26(31)27(25(21)30,18-8-5-2)19-9-6-3/h10-14,29-30H,4-9,15-19H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466509 (US10800725, Compound 17) Show SMILES CCCC1=C(O)C(CCC)(CCC)C(=O)C(C(=O)CCc2ccccc2)=C1O |c:3,26| Show InChI InChI=1S/C24H32O4/c1-4-10-18-21(26)20(19(25)14-13-17-11-8-7-9-12-17)23(28)24(15-5-2,16-6-3)22(18)27/h7-9,11-12,26-27H,4-6,10,13-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit alpha ()	BDBM466508 (US10800725, Compound 16) Show SMILES CCC1=C(O)C(CC)(CC)C(=O)C(C(=O)CCc2ccccc2)=C1O |c:2,23| Show InChI InChI=1S/C21H26O4/c1-4-15-18(23)17(20(25)21(5-2,6-3)19(15)24)16(22)13-12-14-10-8-7-9-11-14/h7-11,23-24H,4-6,12-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing...				US Patent US10800725 (2020) BindingDB Entry DOI: 10.7270/Q2GB274V
					More data for this Ligand-Target Pair