Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50049585'   

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 (Rattus norvegicus (rat))	BDBM50049585 (1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...) Show SMILES Nc1nc(N)c2nc(CN(CC#C)c3ccc(cc3)C(=O)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C19H15F3N6O/c1-2-9-28(13-6-3-11(4-7-13)16(29)19(20,21)22)10-12-5-8-14-15(25-12)17(23)27-18(24)26-14/h1,3-8H,9-10H2,(H4,23,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against rat liver dihydrofolate reductase.				J Med Chem 39: 1836-45 (1996) Article DOI: 10.1021/jm950918e BindingDB Entry DOI: 10.7270/Q2319TXB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Saccharomyces cerevisiae)	BDBM50049585 (1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...) Show SMILES Nc1nc(N)c2nc(CN(CC#C)c3ccc(cc3)C(=O)C(F)(F)F)ccc2n1 Show InChI InChI=1S/C19H15F3N6O/c1-2-9-28(13-6-3-11(4-7-13)16(29)19(20,21)22)10-12-5-8-14-15(25-12)17(23)27-18(24)26-14/h1,3-8H,9-10H2,(H4,23,24,26,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.				J Med Chem 39: 1836-45 (1996) Article DOI: 10.1021/jm950918e BindingDB Entry DOI: 10.7270/Q2319TXB
					More data for this Ligand-Target Pair