Compile Data Set for Download or QSAR

Found 7 hits of ic50 data for polymerid = 50006715   

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
Salicylate synthetase, Irp9 (Yersinia enterocolitica)	BDBM50030314 (CHEMBL3343825) Show SMILES COC(=O)Oc1c(cc2oc(=O)sc2c1[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C9H4N2O9S/c1-18-8(12)20-6-3(10(14)15)2-4-7(5(6)11(16)17)21-9(13)19-4/h2H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as pyruvate production after 10 mins by microplate reader analysis				Bioorg Med Chem 22: 5961-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.010 BindingDB Entry DOI: 10.7270/Q2PC340D
					More data for this Ligand-Target Pair
Salicylate synthetase, Irp9 (Yersinia enterocolitica)	BDBM50030314 (CHEMBL3343825) Show SMILES COC(=O)Oc1c(cc2oc(=O)sc2c1[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C9H4N2O9S/c1-18-8(12)20-6-3(10(14)15)2-4-7(5(6)11(16)17)21-9(13)19-4/h2H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as salicylate production by fluorescence spectrometry				Bioorg Med Chem 22: 5961-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.010 BindingDB Entry DOI: 10.7270/Q2PC340D
					More data for this Ligand-Target Pair
Salicylate synthetase, Irp9 (Yersinia enterocolitica)	BDBM50030313 (CHEMBL3343828) Show SMILES Oc1c(\C=C2\SC(=O)N(C2=O)c2ccccc2)cc(cc1[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C16H9N3O7S/c20-14-9(6-11(18(23)24)8-12(14)19(25)26)7-13-15(21)17(16(22)27-13)10-4-2-1-3-5-10/h1-8,20H/b13-7+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as salicylate production by fluorescence spectrometry				Bioorg Med Chem 22: 5961-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.010 BindingDB Entry DOI: 10.7270/Q2PC340D
					More data for this Ligand-Target Pair
Salicylate synthetase, Irp9 (Yersinia enterocolitica)	BDBM50030315 (CHEMBL3343827) Show SMILES Oc1c(Br)cc2oc(=O)sc2c1Br Show InChI InChI=1S/C7H2Br2O3S/c8-2-1-3-6(4(9)5(2)10)13-7(11)12-3/h1,10H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as salicylate production by fluorescence spectrometry				Bioorg Med Chem 22: 5961-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.010 BindingDB Entry DOI: 10.7270/Q2PC340D
					More data for this Ligand-Target Pair
Salicylate synthetase, Irp9 (Yersinia enterocolitica)	BDBM50030318 (CHEMBL3343824) Show SMILES Oc1c(cc(cc1[N+]([O-])=O)S(=O)(=O)c1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C12H6N4O12S/c17-11-7(13(19)20)1-5(2-8(11)14(21)22)29(27,28)6-3-9(15(23)24)12(18)10(4-6)16(25)26/h1-4,17-18H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as salicylate production by fluorescence spectrometry				Bioorg Med Chem 22: 5961-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.010 BindingDB Entry DOI: 10.7270/Q2PC340D
					More data for this Ligand-Target Pair
Salicylate synthetase, Irp9 (Yersinia enterocolitica)	BDBM50030319 (CHEMBL3343826) Show SMILES COC(=O)Oc1c(Cl)cc2oc(=O)sc2c1[N+]([O-])=O Show InChI InChI=1S/C9H4ClNO7S/c1-16-8(12)18-6-3(10)2-4-7(5(6)11(14)15)19-9(13)17-4/h2H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as salicylate production by fluorescence spectrometry				Bioorg Med Chem 22: 5961-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.010 BindingDB Entry DOI: 10.7270/Q2PC340D
					More data for this Ligand-Target Pair
Salicylate synthetase, Irp9 (Yersinia enterocolitica)	BDBM50030315 (CHEMBL3343827) Show SMILES Oc1c(Br)cc2oc(=O)sc2c1Br Show InChI InChI=1S/C7H2Br2O3S/c8-2-1-3-6(4(9)5(2)10)13-7(11)12-3/h1,10H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as pyruvate production after 10 mins by microplate reader analysis				Bioorg Med Chem 22: 5961-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.010 BindingDB Entry DOI: 10.7270/Q2PC340D
					More data for this Ligand-Target Pair