Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50077794'   

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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50077794 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(3-ethoxyc...) Show SMILES CCOC(=O)CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC Show InChI InChI=1S/C29H38N8O7/c1-4-42-22(38)8-7-15-37(17-19-16-32-26-24(33-19)25(30)35-29(31)36-26)20-11-9-18(10-12-20)27(40)34-21(28(41)44-6-3)13-14-23(39)43-5-2/h9-12,16,21H,4-8,13-15,17H2,1-3H3,(H,34,40)(H4,30,31,32,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50077794 (2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(3-ethoxyc...) Show SMILES CCOC(=O)CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC Show InChI InChI=1S/C29H38N8O7/c1-4-42-22(38)8-7-15-37(17-19-16-32-26-24(33-19)25(30)35-29(31)36-26)20-11-9-18(10-12-20)27(40)34-21(28(41)44-6-3)13-14-23(39)43-5-2/h9-12,16,21H,4-8,13-15,17H2,1-3H3,(H,34,40)(H4,30,31,32,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase in humans				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
					More data for this Ligand-Target Pair