Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50077799'   

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))	BDBM50077799 (2-{4-[(5-Carboxy-pentyl)-(2,4-diamino-pteridin-6-y...) Show SMILES Nc1nc(N)c2nc(CN(CCCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C25H30N8O7/c26-21-20-22(32-25(27)31-21)28-12-15(29-20)13-33(11-3-1-2-4-18(34)35)16-7-5-14(6-8-16)23(38)30-17(24(39)40)9-10-19(36)37/h5-8,12,17H,1-4,9-11,13H2,(H,30,38)(H,34,35)(H,36,37)(H,39,40)(H4,26,27,28,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.183	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))	BDBM50077799 (2-{4-[(5-Carboxy-pentyl)-(2,4-diamino-pteridin-6-y...) Show SMILES Nc1nc(N)c2nc(CN(CCCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C25H30N8O7/c26-21-20-22(32-25(27)31-21)28-12-15(29-20)13-33(11-3-1-2-4-18(34)35)16-7-5-14(6-8-16)23(38)30-17(24(39)40)9-10-19(36)37/h5-8,12,17H,1-4,9-11,13H2,(H,30,38)(H,34,35)(H,36,37)(H,39,40)(H4,26,27,28,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	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