Compile Data Set for Download or QSAR

Found 145 hits of affinity data for UniProtKB/TrEMBL: P9WJF1   

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...)	BDBM50599429 (CHEMBL5180878) Show SMILES O=C(NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1)OCC1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113932 BindingDB Entry DOI: 10.7270/Q2JQ1525
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50515570 (Macozinone | PBTZ-169 | PBTZ169) Show SMILES [O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4O3S/c21-20(22,23)14-10-15-17(16(11-14)27(29)30)31-19(24-18(15)28)26-8-6-25(7-9-26)12-13-4-2-1-3-5-13/h10-11,13H,1-9,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv recombinant DprE1 expressed in Escherichia coli assessed as formation of resorufin using FPR as substr...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00652 BindingDB Entry DOI: 10.7270/Q2MS3XPD
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50515570 (Macozinone | PBTZ-169 | PBTZ169) Show SMILES [O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4O3S/c21-20(22,23)14-10-15-17(16(11-14)27(29)30)31-19(24-18(15)28)26-8-6-25(7-9-26)12-13-4-2-1-3-5-13/h10-11,13H,1-9,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21 (DE3) cells assessed as formation of resorufin using FPR as substra...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112773 BindingDB Entry DOI: 10.7270/Q2RV0SCH
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50517951 (CHEMBL4453252) Show SMILES Cc1ccnc(NC(=O)c2ccsc2NC(=O)c2ccn3cnnc3c2)n1 Show InChI InChI=1S/C17H13N7O2S/c1-10-2-5-18-17(20-10)22-15(26)12-4-7-27-16(12)21-14(25)11-3-6-24-9-19-23-13(24)8-11/h2-9H,1H3,(H,21,25)(H,18,20,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-thioredoxin tagged Mycobacterium tuberculosis H37Rv DprE1 expressed in Escherichia coli BL21(DE3) using FPR as substrat...				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281 BindingDB Entry DOI: 10.7270/Q2PR80CC
					More data for this Ligand-Target Pair
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...)	BDBM50517954 (CHEMBL1976041) Show SMILES COc1ccc(CNc2nc3cc(ccc3nc2C(O)=O)C(F)(F)F)cc1 Show InChI InChI=1S/C18H14F3N3O3/c1-27-12-5-2-10(3-6-12)9-22-16-15(17(25)26)23-13-7-4-11(18(19,20)21)8-14(13)24-16/h2-8H,9H2,1H3,(H,22,24)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DprE1				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281 BindingDB Entry DOI: 10.7270/Q2PR80CC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50586277 (CHEMBL4868912) Show SMILES CS(=O)(=O)c1cc([N+]([O-])=O)c2sc(nc(=O)c2c1)N1CCN(CC2CCCCC2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv recombinant DprE1 expressed in Escherichia coli assessed as formation of resorufin using FPR as substr...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00652 BindingDB Entry DOI: 10.7270/Q2MS3XPD
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50517946 (CHEMBL4591732) Show SMILES OC(=O)c1nc2ccc(cc2nc1NCc1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C17H11ClF3N3O2/c18-11-4-1-9(2-5-11)8-22-15-14(16(25)26)23-12-6-3-10(17(19,20)21)7-13(12)24-15/h1-7H,8H2,(H,22,24)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DprE1				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281 BindingDB Entry DOI: 10.7270/Q2PR80CC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50574428 (CHEMBL3262462) Show SMILES CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113932 BindingDB Entry DOI: 10.7270/Q2JQ1525
					More data for this Ligand-Target Pair				3D Structure (crystal)
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50517942 (CHEMBL4475286) Show SMILES CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccn2cnnc2c1 Show InChI InChI=1S/C15H13N5O4S/c1-2-24-15(23)18-13(22)10-4-6-25-14(10)17-12(21)9-3-5-20-8-16-19-11(20)7-9/h3-8H,2H2,1H3,(H,17,21)(H,18,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-thioredoxin tagged Mycobacterium tuberculosis H37Rv DprE1 expressed in Escherichia coli BL21(DE3) using FPR as substrat...				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281 BindingDB Entry DOI: 10.7270/Q2PR80CC
					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...)	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...)	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...)	BDBM50517955 (CHEMBL4569953) Show SMILES OC(=O)c1nc2ccc(cc2nc1NCc1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C18H11F3N4O2/c19-18(20,21)12-5-6-13-14(7-12)25-16(15(24-13)17(26)27)23-9-11-3-1-10(8-22)2-4-11/h1-7H,9H2,(H,23,25)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DprE1				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281 BindingDB Entry DOI: 10.7270/Q2PR80CC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50517957 (CHEMBL4437244) Show SMILES Cc1c(CCC(=O)N2CCCC2)c(=O)n2c3ccccc3[nH]c2c1C#N Show InChI InChI=1S/C20H20N4O2/c1-13-14(8-9-18(25)23-10-4-5-11-23)20(26)24-17-7-3-2-6-16(17)22-19(24)15(13)12-21/h2-3,6-7,22H,4-5,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DprE1 using FPR as substrate preincubated for 6.5 hrs followed by substrate addition by resazurin dye-...				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281 BindingDB Entry DOI: 10.7270/Q2PR80CC
					More data for this Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50517945 (CHEMBL1973996) Show SMILES OC(=O)c1nc2ccc(cc2nc1NCc1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C17H11F4N3O2/c18-11-4-1-9(2-5-11)8-22-15-14(16(25)26)23-12-6-3-10(17(19,20)21)7-13(12)24-15/h1-7H,8H2,(H,22,24)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DprE1				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281 BindingDB Entry DOI: 10.7270/Q2PR80CC
					More data for this Ligand-Target Pair				3D Structure (crystal)
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...)	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...)	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...)	BDBM50517953 (CHEMBL4444439) Show SMILES COc1ccc(CNc2nc3cc(ccc3nc2C(O)=O)C(F)(F)F)cc1F Show InChI InChI=1S/C18H13F4N3O3/c1-28-14-5-2-9(6-11(14)19)8-23-16-15(17(26)27)24-12-4-3-10(18(20,21)22)7-13(12)25-16/h2-7H,8H2,1H3,(H,23,25)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DprE1				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281 BindingDB Entry DOI: 10.7270/Q2PR80CC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50517943 (CHEMBL4453294) Show SMILES CCOc1ccc(CNc2nc3cc(ccc3nc2C(O)=O)C(F)(F)F)cc1 Show InChI InChI=1S/C19H16F3N3O3/c1-2-28-13-6-3-11(4-7-13)10-23-17-16(18(26)27)24-14-8-5-12(19(20,21)22)9-15(14)25-17/h3-9H,2,10H2,1H3,(H,23,25)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DprE1				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281 BindingDB Entry DOI: 10.7270/Q2PR80CC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50599430 (CHEMBL5197700) Show SMILES O=C(NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1)OCC1CCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113932 BindingDB Entry DOI: 10.7270/Q2JQ1525
					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...)	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...)	BDBM50517949 (CHEMBL4447540) Show SMILES CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1 Show InChI InChI=1S/C15H12N4O4S2/c1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-7-16-5-3-10(9)25-14/h3-7H,2H2,1H3,(H,18,21)(H,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-thioredoxin tagged Mycobacterium tuberculosis H37Rv DprE1 expressed in Escherichia coli BL21(DE3) using FPR as substrat...				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281 BindingDB Entry DOI: 10.7270/Q2PR80CC
					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...)	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...)	BDBM50517944 (CHEMBL4576609) Show SMILES OC(=O)c1nc2ccc(cc2nc1NCc1ccc(cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H11F6N3O2/c19-17(20,21)10-3-1-9(2-4-10)8-25-15-14(16(28)29)26-12-6-5-11(18(22,23)24)7-13(12)27-15/h1-7H,8H2,(H,25,27)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
The Maharaja Sayajirao University of Baroda Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DprE1				J Med Chem 61: 8563-8593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00281 BindingDB Entry DOI: 10.7270/Q2PR80CC
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50556185 (CHEMBL4752208) Show SMILES COC(=O)C#Cc1cc(cc2c1sc(nc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21 (DE3) cells assessed as formation of resorufin using FPR as substra...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112773 BindingDB Entry DOI: 10.7270/Q2RV0SCH
					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
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...)	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...)	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...)	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...)	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...)	BDBM50556182 (CHEMBL4763381) Show SMILES NC(=O)\C=C\c1cc(cc2c1sc(nc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F Show InChI	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
TBA					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21 (DE3) cells assessed as formation of resorufin using FPR as substra...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112773 BindingDB Entry DOI: 10.7270/Q2RV0SCH
					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
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50603476 (CHEMBL5185220) Show SMILES COC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	221	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114145 BindingDB Entry DOI: 10.7270/Q27W6H98
					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
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50574428 (CHEMBL3262462) Show SMILES CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv DprE1 using FAD as substrate by resazurin based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00263 BindingDB Entry DOI: 10.7270/Q23200P6
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50556183 (CHEMBL4740005) Show SMILES CNC(=O)\C=C\c1cc(cc2c1sc(nc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21 (DE3) cells assessed as formation of resorufin using FPR as substra...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112773 BindingDB Entry DOI: 10.7270/Q2RV0SCH
					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

Displayed 1 to 50 (of 145 total )  |  Next  |  Last  >>

Jump to: