Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50251163'   

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 (Homo sapiens (Human))	BDBM50251163 (2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diamin...) Show SMILES Nc1cc(N)c2nc(c(Nc3ccc(Cl)c(Cl)c3)nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H15Cl2N5/c21-14-7-6-13(10-15(14)22)25-20-18(11-4-2-1-3-5-11)27-19-16(24)8-12(23)9-17(19)26-20/h1-10H,23-24H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	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)	BDBM50251163 (2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diamin...) Show SMILES Nc1cc(N)c2nc(c(Nc3ccc(Cl)c(Cl)c3)nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H15Cl2N5/c21-14-7-6-13(10-15(14)22)25-20-18(11-4-2-1-3-5-11)27-19-16(24)8-12(23)9-17(19)26-20/h1-10H,23-24H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 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
Thymidylate synthase (Escherichia coli)	BDBM50251163 (2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diamin...) Show SMILES Nc1cc(N)c2nc(c(Nc3ccc(Cl)c(Cl)c3)nc2c1)-c1ccccc1 Show InChI InChI=1S/C20H15Cl2N5/c21-14-7-6-13(10-15(14)22)25-20-18(11-4-2-1-3-5-11)27-19-16(24)8-12(23)9-17(19)26-20/h1-10H,23-24H2,(H,25,26)	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