Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50251175   

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
Thymidylate synthase (Escherichia coli)	BDBM50251175 (CHEMBL510652 | N-[4(5,7-Dinitro-3-phenyl-quinoxali...) Show SMILES CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(cc([N+]([O-])=O)c3nc2-c2ccccc2)[N+]([O-])=O)cc1)C(=O)OCC Show InChI InChI=1S/C30H28N6O9/c1-3-44-25(37)15-14-22(30(39)45-4-2)33-29(38)19-10-12-20(13-11-19)31-28-26(18-8-6-5-7-9-18)34-27-23(32-28)16-21(35(40)41)17-24(27)36(42)43/h5-13,16-17,22H,3-4,14-15H2,1-2H3,(H,31,32)(H,33,38)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Escherichia coli thymidylate synthase				Eur J Med Chem 43: 189-203 (2008) Article DOI: 10.1016/j.ejmech.2007.03.035 BindingDB Entry DOI: 10.7270/Q27P8Z43
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50251175 (CHEMBL510652 | N-[4(5,7-Dinitro-3-phenyl-quinoxali...) Show SMILES CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(cc([N+]([O-])=O)c3nc2-c2ccccc2)[N+]([O-])=O)cc1)C(=O)OCC Show InChI InChI=1S/C30H28N6O9/c1-3-44-25(37)15-14-22(30(39)45-4-2)33-29(38)19-10-12-20(13-11-19)31-28-26(18-8-6-5-7-9-18)34-27-23(32-28)16-21(35(40)41)17-24(27)36(42)43/h5-13,16-17,22H,3-4,14-15H2,1-2H3,(H,31,32)(H,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase				Eur J Med Chem 43: 189-203 (2008) Article DOI: 10.1016/j.ejmech.2007.03.035 BindingDB Entry DOI: 10.7270/Q27P8Z43
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50251175 (CHEMBL510652 | N-[4(5,7-Dinitro-3-phenyl-quinoxali...) Show SMILES CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(cc([N+]([O-])=O)c3nc2-c2ccccc2)[N+]([O-])=O)cc1)C(=O)OCC Show InChI InChI=1S/C30H28N6O9/c1-3-44-25(37)15-14-22(30(39)45-4-2)33-29(38)19-10-12-20(13-11-19)31-28-26(18-8-6-5-7-9-18)34-27-23(32-28)16-21(35(40)41)17-24(27)36(42)43/h5-13,16-17,22H,3-4,14-15H2,1-2H3,(H,31,32)(H,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthase				Eur J Med Chem 43: 189-203 (2008) Article DOI: 10.1016/j.ejmech.2007.03.035 BindingDB Entry DOI: 10.7270/Q27P8Z43
					More data for this Ligand-Target Pair