Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50049580'   

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))	BDBM50049580 (6-(Naphthalen-2-ylaminomethyl)-pyrido[3,2-d]pyrimi...) Show SMILES Nc1nc(N)c2nc(CNc3ccc4ccccc4c3)ccc2n1 Show InChI InChI=1S/C18H16N6/c19-17-16-15(23-18(20)24-17)8-7-14(22-16)10-21-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,21H,10H2,(H4,19,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	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 (Rattus norvegicus (rat))	BDBM50049580 (6-(Naphthalen-2-ylaminomethyl)-pyrido[3,2-d]pyrimi...) Show SMILES Nc1nc(N)c2nc(CNc3ccc4ccccc4c3)ccc2n1 Show InChI InChI=1S/C18H16N6/c19-17-16-15(23-18(20)24-17)8-7-14(22-16)10-21-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,21H,10H2,(H4,19,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase				J Med Chem 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50049580 (6-(Naphthalen-2-ylaminomethyl)-pyrido[3,2-d]pyrimi...) Show SMILES Nc1nc(N)c2nc(CNc3ccc4ccccc4c3)ccc2n1 Show InChI InChI=1S/C18H16N6/c19-17-16-15(23-18(20)24-17)8-7-14(22-16)10-21-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,21H,10H2,(H4,19,20,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii dihydrofolate reductase				J Med Chem 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Saccharomyces cerevisiae)	BDBM50049580 (6-(Naphthalen-2-ylaminomethyl)-pyrido[3,2-d]pyrimi...) Show SMILES Nc1nc(N)c2nc(CNc3ccc4ccccc4c3)ccc2n1 Show InChI InChI=1S/C18H16N6/c19-17-16-15(23-18(20)24-17)8-7-14(22-16)10-21-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,21H,10H2,(H4,19,20,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	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