Compile Data Set for Download or QSAR

Found 16 hits of ic50 for UniProtKB: P9WMC1   

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
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50363052 (CHEMBL1946956) Show SMILES FC(F)(F)CCCC(=O)N1CCC(CC1)c1nc(no1)-c1nccs1 Show InChI InChI=1S/C15H17F3N4O2S/c16-15(17,18)5-1-2-11(23)22-7-3-10(4-8-22)13-20-12(21-24-13)14-19-6-9-25-14/h6,9-10H,1-5,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay				J Med Chem 55: 68-83 (2012) Article DOI: 10.1021/jm200825u BindingDB Entry DOI: 10.7270/Q2RX9CJW
					More data for this Ligand-Target Pair				3D Structure (crystal)
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50363052 (CHEMBL1946956) Show SMILES FC(F)(F)CCCC(=O)N1CCC(CC1)c1nc(no1)-c1nccs1 Show InChI InChI=1S/C15H17F3N4O2S/c16-15(17,18)5-1-2-11(23)22-7-3-10(4-8-22)13-20-12(21-24-13)14-19-6-9-25-14/h6,9-10H,1-5,7-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv EthR				Bioorg Med Chem Lett 29: 1999-2007 (2019) Article DOI: 10.1016/j.bmcl.2019.06.054 BindingDB Entry DOI: 10.7270/Q27S7S9X
					More data for this Ligand-Target Pair				3D Structure (crystal)
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50343344 (1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-o...) Show SMILES O=C(Cc1cccs1)N1CCC(CC1)c1nc(no1)-c1cccs1 Show InChI InChI=1S/C17H17N3O2S2/c21-15(11-13-3-1-9-23-13)20-7-5-12(6-8-20)17-18-16(19-22-17)14-4-2-10-24-14/h1-4,9-10,12H,5-8,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay				J Med Chem 54: 2994-3010 (2011) Article DOI: 10.1021/jm200076a BindingDB Entry DOI: 10.7270/Q2SJ1KXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50462583 (CHEMBL1234901) Show SMILES Ic1ccc(cc1)S(=O)(=O)NCc1cn(CC(=O)N2CCC(CC2)c2nc(no2)-c2cccs2)nn1 Show InChI InChI=1S/C22H22IN7O4S2/c23-16-3-5-18(6-4-16)36(32,33)24-12-17-13-30(28-26-17)14-20(31)29-9-7-15(8-10-29)22-25-21(27-34-22)19-2-1-11-35-19/h1-6,11,13,15,24H,7-10,12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis EthR				J Med Chem 61: 9395-9409 (2018) Article DOI: 10.1021/acs.jmedchem.8b00266 BindingDB Entry DOI: 10.7270/Q2765J0C
					More data for this Ligand-Target Pair				3D Structure (crystal)
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50343346 (4-Methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-y...) Show SMILES CC(C)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccs1 Show InChI InChI=1S/C17H23N3O2S/c1-12(2)5-6-15(21)20-9-7-13(8-10-20)17-18-16(19-22-17)14-4-3-11-23-14/h3-4,11-13H,5-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay				J Med Chem 54: 2994-3010 (2011) Article DOI: 10.1021/jm200076a BindingDB Entry DOI: 10.7270/Q2SJ1KXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50363017 (CHEMBL1945812) Show SMILES COc1ccc2nc(sc2c1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F Show InChI InChI=1S/C19H19F3N4O3S/c1-28-12-2-3-13-14(10-12)30-18(23-13)16-24-17(29-25-16)11-5-8-26(9-6-11)15(27)4-7-19(20,21)22/h2-3,10-11H,4-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay				J Med Chem 55: 68-83 (2012) Article DOI: 10.1021/jm200825u BindingDB Entry DOI: 10.7270/Q2RX9CJW
					More data for this Ligand-Target Pair				3D Structure (crystal)
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50343347 (2-Cyclopropyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiaz...) Show SMILES O=C(CC1CC1)N1CCC(CC1)c1nc(no1)-c1cccs1 Show InChI InChI=1S/C16H19N3O2S/c20-14(10-11-3-4-11)19-7-5-12(6-8-19)16-17-15(18-21-16)13-2-1-9-22-13/h1-2,9,11-12H,3-8,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay				J Med Chem 54: 2994-3010 (2011) Article DOI: 10.1021/jm200076a BindingDB Entry DOI: 10.7270/Q2SJ1KXS
					More data for this Ligand-Target Pair
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50343348 (2-Cyclopentyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiaz...) Show SMILES O=C(CC1CCCC1)N1CCC(CC1)c1nc(no1)-c1cccs1 Show InChI InChI=1S/C18H23N3O2S/c22-16(12-13-4-1-2-5-13)21-9-7-14(8-10-21)18-19-17(20-23-18)15-6-3-11-24-15/h3,6,11,13-14H,1-2,4-5,7-10,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay				J Med Chem 54: 2994-3010 (2011) Article DOI: 10.1021/jm200076a BindingDB Entry DOI: 10.7270/Q2SJ1KXS
					More data for this Ligand-Target Pair
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50343350 (4,4,4-trifluoro-1-(4-(3-(thiophen-2-yl)-1,2,4-oxad...) Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccs1 Show InChI InChI=1S/C15H16F3N3O2S/c16-15(17,18)6-3-12(22)21-7-4-10(5-8-21)14-19-13(20-23-14)11-2-1-9-24-11/h1-2,9-10H,3-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay				J Med Chem 55: 68-83 (2012) Article DOI: 10.1021/jm200825u BindingDB Entry DOI: 10.7270/Q2RX9CJW
					More data for this Ligand-Target Pair
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50343350 (4,4,4-trifluoro-1-(4-(3-(thiophen-2-yl)-1,2,4-oxad...) Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccs1 Show InChI InChI=1S/C15H16F3N3O2S/c16-15(17,18)6-3-12(22)21-7-4-10(5-8-21)14-19-13(20-23-14)11-2-1-9-24-11/h1-2,9-10H,3-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay				J Med Chem 54: 2994-3010 (2011) Article DOI: 10.1021/jm200076a BindingDB Entry DOI: 10.7270/Q2SJ1KXS
					More data for this Ligand-Target Pair
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50343351 (4,4,4-Trifluoro-1-[(R)-3-(3-thiophen-2-yl-1,2,4-ox...) Show SMILES FC(F)(F)CCC(=O)N1CC[C@H](C1)c1nc(no1)-c1cccs1 |r| Show InChI InChI=1S/C14H14F3N3O2S/c15-14(16,17)5-3-11(21)20-6-4-9(8-20)13-18-12(19-22-13)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay				J Med Chem 55: 68-83 (2012) Article DOI: 10.1021/jm200825u BindingDB Entry DOI: 10.7270/Q2RX9CJW
					More data for this Ligand-Target Pair
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50343351 (4,4,4-Trifluoro-1-[(R)-3-(3-thiophen-2-yl-1,2,4-ox...) Show SMILES FC(F)(F)CCC(=O)N1CC[C@H](C1)c1nc(no1)-c1cccs1 |r| Show InChI InChI=1S/C14H14F3N3O2S/c15-14(16,17)5-3-11(21)20-6-4-9(8-20)13-18-12(19-22-13)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay				J Med Chem 54: 2994-3010 (2011) Article DOI: 10.1021/jm200076a BindingDB Entry DOI: 10.7270/Q2SJ1KXS
					More data for this Ligand-Target Pair
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50363015 (CHEMBL1945701) Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1nccs1 Show InChI InChI=1S/C14H15F3N4O2S/c15-14(16,17)4-1-10(22)21-6-2-9(3-7-21)12-19-11(20-23-12)13-18-5-8-24-13/h5,8-9H,1-4,6-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay				J Med Chem 55: 68-83 (2012) Article DOI: 10.1021/jm200825u BindingDB Entry DOI: 10.7270/Q2RX9CJW
					More data for this Ligand-Target Pair				3D Structure (crystal)
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50343349 (2-Cyclohexyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazo...) Show SMILES O=C(CC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1cccs1 Show InChI InChI=1S/C19H25N3O2S/c23-17(13-14-5-2-1-3-6-14)22-10-8-15(9-11-22)19-20-18(21-24-19)16-7-4-12-25-16/h4,7,12,14-15H,1-3,5-6,8-11,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay				J Med Chem 54: 2994-3010 (2011) Article DOI: 10.1021/jm200076a BindingDB Entry DOI: 10.7270/Q2SJ1KXS
					More data for this Ligand-Target Pair
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50343345 (2-Phenyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-...) Show SMILES O=C(Cc1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccs1 Show InChI InChI=1S/C19H19N3O2S/c23-17(13-14-5-2-1-3-6-14)22-10-8-15(9-11-22)19-20-18(21-24-19)16-7-4-12-25-16/h1-7,12,15H,8-11,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay				J Med Chem 54: 2994-3010 (2011) Article DOI: 10.1021/jm200076a BindingDB Entry DOI: 10.7270/Q2SJ1KXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM50363018 (CHEMBL1945813) Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1ccccc1 Show InChI InChI=1S/C17H18F3N3O2/c18-17(19,20)9-6-14(24)23-10-7-13(8-11-23)16-21-15(22-25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay				J Med Chem 55: 68-83 (2012) Article DOI: 10.1021/jm200825u BindingDB Entry DOI: 10.7270/Q2RX9CJW
					More data for this Ligand-Target Pair				3D Structure (crystal)