Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50012284   

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...)	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...)	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...)	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...)	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...)	BDBM50556189 (CHEMBL4798070) Show SMILES FC(F)(F)c1cc(Cl)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	920	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...)	BDBM50556181 (CHEMBL4764258) Show SMILES COC(=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	1.24E+3	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...)	BDBM50556184 (CHEMBL4747610) Show SMILES CN(C)C(=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	1.25E+3	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...)	BDBM50556192 (CHEMBL4750100) Show SMILES FC(F)(F)c1cc(C#N)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	1.70E+3	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...)	BDBM50556190 (CHEMBL4787991) Show SMILES FC(F)(F)c1cc(Br)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	1.84E+3	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...)	BDBM50556191 (CHEMBL4794533) Show SMILES FC(F)(F)c1cc(I)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	2.35E+3	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...)	BDBM50556193 (CHEMBL4740019) Show SMILES COC(=O)CCc1cc(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	5.40E+3	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...)	BDBM50556186 (CHEMBL4750760) Show SMILES O=c1nc(sc2nc(ccc12)C#N)N1CCN(CC2CCCCC2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.72E+3	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...)	BDBM50556194 (CHEMBL4749411) Show SMILES FC(F)(F)c1cc(CCC#N)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	1.32E+4	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...)	BDBM50556195 (CHEMBL4760909) Show SMILES NC(=O)CCc1cc(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	1.67E+4	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...)	BDBM50556187 (CHEMBL4756702) Show SMILES Clc1ncc2c(n1)sc(nc2=O)N1CCN(CC2CCCCC2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	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...)	BDBM50556188 (CHEMBL4781643) Show SMILES O=c1nc(sc2nc(ncc12)C#N)N1CCN(CC2CCCCC2)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	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