Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50251172   

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)	BDBM50251172 (2-[(3,4-Dimethoxy-phenyl)amino]-3-phenyl-5,7-dinit...) Show SMILES COc1ccc(Nc2nc3cc(cc([N+]([O-])=O)c3nc2-c2ccccc2)[N+]([O-])=O)cc1OC Show InChI InChI=1S/C22H17N5O6/c1-32-18-9-8-14(10-19(18)33-2)23-22-20(13-6-4-3-5-7-13)25-21-16(24-22)11-15(26(28)29)12-17(21)27(30)31/h3-12H,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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))	BDBM50251172 (2-[(3,4-Dimethoxy-phenyl)amino]-3-phenyl-5,7-dinit...) Show SMILES COc1ccc(Nc2nc3cc(cc([N+]([O-])=O)c3nc2-c2ccccc2)[N+]([O-])=O)cc1OC Show InChI InChI=1S/C22H17N5O6/c1-32-18-9-8-14(10-19(18)33-2)23-22-20(13-6-4-3-5-7-13)25-21-16(24-22)11-15(26(28)29)12-17(21)27(30)31/h3-12H,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+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)	BDBM50251172 (2-[(3,4-Dimethoxy-phenyl)amino]-3-phenyl-5,7-dinit...) Show SMILES COc1ccc(Nc2nc3cc(cc([N+]([O-])=O)c3nc2-c2ccccc2)[N+]([O-])=O)cc1OC Show InChI InChI=1S/C22H17N5O6/c1-32-18-9-8-14(10-19(18)33-2)23-22-20(13-6-4-3-5-7-13)25-21-16(24-22)11-15(26(28)29)12-17(21)27(30)31/h3-12H,1-2H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+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