Compile Data Set for Download or QSAR

Found 12 hits of ic50 data for polymerid = 50006139   

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
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Naval Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate ...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM50436716 (CHEMBL1390649) Show SMILES O=C(N1CCC(=CC1)c1ccccc1)C(=O)c1c[nH]c2ccccc12 |c:5| Show InChI InChI=1S/C21H18N2O2/c24-20(18-14-22-19-9-5-4-8-17(18)19)21(25)23-12-10-16(11-13-23)15-6-2-1-3-7-15/h1-10,14,22H,11-13H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Naval Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate ...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM50436719 (CHEMBL2398664) Show SMILES NC(=O)c1ccc(Oc2ccccc2O)c(F)c1 Show InChI InChI=1S/C13H10FNO3/c14-9-7-8(13(15)17)5-6-11(9)18-12-4-2-1-3-10(12)16/h1-7,16H,(H2,15,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Naval Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM50436718 (CHEMBL1341978) Show SMILES O=C(CC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc(cc1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C25H34N4O4S/c30-23(18-19-6-2-1-3-7-19)28-16-12-21(13-17-28)25-26-24(27-33-25)20-8-10-22(11-9-20)34(31,32)29-14-4-5-15-29/h8-11,19,21H,1-7,12-18H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Naval Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate ...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM50436717 (CHEMBL2398663) Show SMILES Oc1ccccc1Oc1ccc(cc1F)C#N Show InChI InChI=1S/C13H8FNO2/c14-10-7-9(8-15)5-6-12(10)17-13-4-2-1-3-11(13)16/h1-7,16H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Naval Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM50436716 (CHEMBL1390649) Show SMILES O=C(N1CCC(=CC1)c1ccccc1)C(=O)c1c[nH]c2ccccc12 |c:5| Show InChI InChI=1S/C21H18N2O2/c24-20(18-14-22-19-9-5-4-8-17(18)19)21(25)23-12-10-16(11-13-23)15-6-2-1-3-7-15/h1-10,14,22H,11-13H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Naval Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM50436715 (CHEMBL2398661) Show SMILES O=C(COc1ccccc1)NCCSc1c[nH]c2ccccc12 Show InChI InChI=1S/C18H18N2O2S/c21-18(13-22-14-6-2-1-3-7-14)19-10-11-23-17-12-20-16-9-5-4-8-15(16)17/h1-9,12,20H,10-11,13H2,(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL 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
Naval Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate ...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM50436714 (CHEMBL2398662) Show SMILES CN(Cc1ccccc1N)C(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C17H16N2O2/c1-19(11-13-7-2-4-8-14(13)18)17(20)16-10-12-6-3-5-9-15(12)21-16/h2-10H,11,18H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Naval Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM35525 (3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...) Show SMILES Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Naval Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM50087289 (1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...) Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Naval Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM50436713 (BUTENAFINE | Mentax | Mentax-TC) Show SMILES CN(Cc1ccc(cc1)C(C)(C)C)Cc1cccc2ccccc12 Show InChI InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Naval Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...)	BDBM50049240 ((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...) Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Naval Research Laboratories Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a...				J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG
					More data for this Ligand-Target Pair