Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'bates' and Initial = 'rh'   

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
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528132 (CHEMBL4439876) Show SMILES C[C@@]1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C18H15F2N3O5S/c1-18(10-2-5-12(6-3-10)29(21,27)28)16(25)23(17(26)22-18)9-15(24)13-7-4-11(19)8-14(13)20/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528077 (CHEMBL4441087) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H15F2N3O5S/c1-18(10-2-5-12(6-3-10)29(21,27)28)16(25)23(17(26)22-18)9-15(24)13-7-4-11(19)8-14(13)20/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528140 (CHEMBL4557069) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)c(c2)C(F)(F)F)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H15F4N3O5S/c1-18(11-3-5-12(6-4-11)32(24,30)31)16(28)26(17(29)25-18)9-15(27)10-2-7-14(20)13(8-10)19(21,22)23/h2-8H,9H2,1H3,(H,25,29)(H2,24,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528139 (CHEMBL4441924) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)c(Cl)c2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H15ClFN3O5S/c1-18(11-3-5-12(6-4-11)29(21,27)28)16(25)23(17(26)22-18)9-15(24)10-2-7-14(20)13(19)8-10/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528078 (CHEMBL4554896) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2O)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16FN3O6S/c1-18(10-2-5-12(6-3-10)29(20,27)28)16(25)22(17(26)21-18)9-15(24)13-7-4-11(19)8-14(13)23/h2-8,23H,9H2,1H3,(H,21,26)(H2,20,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528090 (CHEMBL4593173) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)c(F)c2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H15F2N3O5S/c1-18(11-3-5-12(6-4-11)29(21,27)28)16(25)23(17(26)22-18)9-15(24)10-2-7-13(19)14(20)8-10/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528075 (CHEMBL4452592) Show SMILES CC1(NC(=O)N(CC(=O)c2ncc(F)cc2F)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H14F2N4O5S/c1-17(9-2-4-11(5-3-9)29(20,27)28)15(25)23(16(26)22-17)8-13(24)14-12(19)6-10(18)7-21-14/h2-7H,8H2,1H3,(H,22,26)(H2,20,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528079 (CHEMBL4468599) Show SMILES CC1(NC(=O)N(CC(=O)c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16F3N3O6S/c1-18(12-5-7-14(8-6-12)32(23,29)30)16(27)25(17(28)24-18)10-15(26)11-3-2-4-13(9-11)31-19(20,21)22/h2-9H,10H2,1H3,(H,24,28)(H2,23,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528129 (CHEMBL4438645) Show SMILES CC1(NC(=O)N(CC(=O)c2cccc(c2)C(F)(F)F)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16F3N3O5S/c1-18(12-5-7-14(8-6-12)31(23,29)30)16(27)25(17(28)24-18)10-15(26)11-3-2-4-13(9-11)19(20,21)22/h2-9H,10H2,1H3,(H,24,28)(H2,23,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528076 (CHEMBL4460821) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(Cl)cc2Cl)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H15Cl2N3O5S/c1-18(10-2-5-12(6-3-10)29(21,27)28)16(25)23(17(26)22-18)9-15(24)13-7-4-11(19)8-14(13)20/h2-8H,9H2,1H3,(H,22,26)(H2,21,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528143 (CHEMBL4557558) Show SMILES COC(=O)c1ccc(cc1)C1(C)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O Show InChI InChI=1S/C20H16F2N2O5/c1-20(12-5-3-11(4-6-12)17(26)29-2)18(27)24(19(28)23-20)10-16(25)14-8-7-13(21)9-15(14)22/h3-9H,10H2,1-2H3,(H,23,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528109 (CHEMBL4594022) Show SMILES CC1(NC(=O)N(CC(=O)c2cccc(Br)c2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16BrN3O5S/c1-18(12-5-7-14(8-6-12)28(20,26)27)16(24)22(17(25)21-18)10-15(23)11-3-2-4-13(19)9-11/h2-9H,10H2,1H3,(H,21,25)(H2,20,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528096 (CHEMBL4443878) Show SMILES CC1(NC(=O)N(CC(=O)c2ccccc2C(F)(F)F)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16F3N3O5S/c1-18(11-6-8-12(9-7-11)31(23,29)30)16(27)25(17(28)24-18)10-15(26)13-4-2-3-5-14(13)19(20,21)22/h2-9H,10H2,1H3,(H,24,28)(H2,23,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528114 (CHEMBL4459602) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H14ClN3O5S2/c1-16(9-2-4-10(5-3-9)27(18,24)25)14(22)20(15(23)19-16)8-11(21)12-6-7-13(17)26-12/h2-7H,8H2,1H3,(H,19,23)(H2,18,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528091 (CHEMBL4471280) Show SMILES Cc1ccccc1C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O5S/c1-12-5-3-4-6-15(12)16(23)11-22-17(24)19(2,21-18(22)25)13-7-9-14(10-8-13)28(20,26)27/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528094 (CHEMBL4515427) Show SMILES COc1cccc(c1)C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O6S/c1-19(13-6-8-15(9-7-13)29(20,26)27)17(24)22(18(25)21-19)11-16(23)12-4-3-5-14(10-12)28-2/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582205 (CHEMBL5094563) Show SMILES CC(=O)c1c(oc2ccc(O)c(CN3CCC3)c12)-c1cc(C)c(O)cn1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582194 (CHEMBL5085116) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)c(C)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528126 (CHEMBL4566455) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16FN3O5S/c1-18(12-4-8-14(9-5-12)28(20,26)27)16(24)22(17(25)21-18)10-15(23)11-2-6-13(19)7-3-11/h2-9H,10H2,1H3,(H,21,25)(H2,20,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528137 (CHEMBL4455316) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C20H15F2N3O5/c1-20(10-2-5-16-14(6-10)23-17(27)9-30-16)18(28)25(19(29)24-20)8-15(26)12-4-3-11(21)7-13(12)22/h2-7H,8-9H2,1H3,(H,23,27)(H,24,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528088 (CHEMBL4464865) Show SMILES CC1(NC(=O)N(CC(=O)c2cccc(F)c2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16FN3O5S/c1-18(12-5-7-14(8-6-12)28(20,26)27)16(24)22(17(25)21-18)10-15(23)11-3-2-4-13(19)9-11/h2-9H,10H2,1H3,(H,21,25)(H2,20,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528110 (CHEMBL4467330) Show SMILES Cc1ccc(cc1)C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O5S/c1-12-3-5-13(6-4-12)16(23)11-22-17(24)19(2,21-18(22)25)14-7-9-15(10-8-14)28(20,26)27/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582183 (CHEMBL5080207) Show SMILES CC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582170 (CHEMBL5074531) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528120 (CHEMBL4571645) Show SMILES CC1(NC(=O)N(CC(=O)c2ccccc2F)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16FN3O5S/c1-18(11-6-8-12(9-7-11)28(20,26)27)16(24)22(17(25)21-18)10-15(23)13-4-2-3-5-14(13)19/h2-9H,10H2,1H3,(H,21,25)(H2,20,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528104 (CHEMBL4552639) Show SMILES CC1(NC(=O)N(CC(=O)c2cccs2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O5S2/c1-16(10-4-6-11(7-5-10)26(17,23)24)14(21)19(15(22)18-16)9-12(20)13-3-2-8-25-13/h2-8H,9H2,1H3,(H,18,22)(H2,17,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528092 (CHEMBL4454189) Show SMILES Cc1cccc(c1)C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O5S/c1-12-4-3-5-13(10-12)16(23)11-22-17(24)19(2,21-18(22)25)14-6-8-15(9-7-14)28(20,26)27/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528136 (CHEMBL4453781) Show SMILES CC1(NC(=O)N(CC(=O)c2nc3ccccc3s2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16N4O5S2/c1-19(11-6-8-12(9-7-11)30(20,27)28)17(25)23(18(26)22-19)10-14(24)16-21-13-4-2-3-5-15(13)29-16/h2-9H,10H2,1H3,(H,22,26)(H2,20,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528100 (CHEMBL4590127) Show SMILES CC1(NC(=O)N(CC(=O)C2CCCCC2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H23N3O5S/c1-18(13-7-9-14(10-8-13)27(19,25)26)16(23)21(17(24)20-18)11-15(22)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,20,24)(H2,19,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582196 (CHEMBL5083270) Show SMILES Oc1ccc(cc1)-c1oc2ccc(O)c(CNCC3(O)CC3)c2c1C(=O)N1CCC1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582203 (CHEMBL5077530) Show SMILES CC(=O)c1c(oc2ccc(O)c(CN3CCC3)c12)-c1ccc(O)cn1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582197 (CHEMBL5090255) Show SMILES Oc1ccc(cc1)-c1oc2ccc(O)c(CNCC3(O)CC3)c2c1C(=O)N1CC(F)C1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582201 (CHEMBL5080864) Show SMILES Oc1ccc(nc1)-c1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)N1CC(F)C1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582204 (CHEMBL5080306) Show SMILES CC(=O)c1c(oc2ccc(O)c(CN3CCCC3)c12)-c1ccc(O)cn1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528087 (CHEMBL4467801) Show SMILES CC1(NC(=O)N(CC(=O)c2ccccc2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H17N3O5S/c1-18(13-7-9-14(10-8-13)27(19,25)26)16(23)21(17(24)20-18)11-15(22)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,24)(H2,19,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582173 (CHEMBL5079632) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582189 (CHEMBL5090267) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc2[nH]ccc2c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528095 (CHEMBL4471399) Show SMILES COc1ccc(cc1)C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O6S/c1-19(13-5-9-15(10-6-13)29(20,26)27)17(24)22(18(25)21-19)11-16(23)12-3-7-14(28-2)8-4-12/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50520948 (CHEMBL4443524) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCCCC3)c12)-c1ccc(O)cc1 Show InChI InChI=1S/C22H24N2O4/c1-23-22(27)20-19-16(13-24-11-3-2-4-12-24)17(26)9-10-18(19)28-21(20)14-5-7-15(25)8-6-14/h5-10,25-26H,2-4,11-13H2,1H3,(H,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582169 (CHEMBL5070158) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCCC3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582192 (CHEMBL5084527) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1F Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582202 (CHEMBL5084231) Show SMILES CC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cn1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582182 (CHEMBL5091803) Show SMILES Oc1ccc(cc1)-c1oc2ccc(O)c(CN3CCC4(COC4)C3)c2c1C(=O)N1CC(F)C1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528083 (CHEMBL4567438) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H19F2N3O5S/c1-24(15-7-10-17(11-8-15)28-35(33,34)18-5-3-2-4-6-18)22(31)29(23(32)27-24)14-21(30)19-12-9-16(25)13-20(19)26/h2-13,28H,14H2,1H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528099 (CHEMBL4459122) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)c(c2)C(F)(F)F)C1=O)c1ccc(cc1)C#N Show InChI InChI=1S/C20H13F4N3O3/c1-19(13-5-2-11(9-25)3-6-13)17(29)27(18(30)26-19)10-16(28)12-4-7-15(21)14(8-12)20(22,23)24/h2-8H,10H2,1H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582171 (CHEMBL5079408) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC[C@@H](O)C3)c12)-c1ccc(O)cc1 |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582175 (CHEMBL5092632) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CC4(COC4)C3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582193 (CHEMBL5086988) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1c(F)cc(O)cc1F |(36.94,-34.48,;36.47,-35.95,;34.96,-36.27,;33.93,-35.13,;34.49,-37.73,;35.4,-38.99,;34.6,-40.02,;33.01,-39.76,;31.68,-40.53,;30.34,-39.76,;30.35,-38.22,;29.01,-37.45,;31.68,-37.45,;31.67,-35.91,;30.34,-35.14,;28.94,-35.78,;27.9,-34.63,;28.66,-33.3,;29.06,-31.8,;27.57,-31.41,;27.17,-32.9,;30.17,-33.61,;33.01,-38.21,;36.93,-38.98,;37.7,-40.32,;36.93,-41.65,;39.24,-40.32,;40.01,-38.99,;41.55,-38.98,;39.23,-37.65,;37.69,-37.66,;37.39,-36.28,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528119 (CHEMBL4444064) Show SMILES CC1(NC(=O)N(CC(=O)c2ccc3ccccc3c2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H19N3O5S/c1-22(17-8-10-18(11-9-17)31(23,29)30)20(27)25(21(28)24-22)13-19(26)16-7-6-14-4-2-3-5-15(14)12-16/h2-12H,13H2,1H3,(H,24,28)(H2,23,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528101 (CHEMBL4476058) Show SMILES CC1(NC(=O)N(CC(=O)c2ccccn2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H16N4O5S/c1-17(11-5-7-12(8-6-11)27(18,25)26)15(23)21(16(24)20-17)10-14(22)13-4-2-3-9-19-13/h2-9H,10H2,1H3,(H,20,24)(H2,18,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
					More data for this Ligand-Target Pair

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