Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50013698'   

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))	BDBM50013698 (8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077) Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.99E+4	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 40: 3032-9 (1997) Article DOI: 10.1021/jm970271t BindingDB Entry DOI: 10.7270/Q2GX49PG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50013698 (8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077) Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver DHFR by spectrophotometric assay				Bioorg Med Chem 18: 1684-701 (2010) Article DOI: 10.1016/j.bmc.2009.12.066 BindingDB Entry DOI: 10.7270/Q2668D9K
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50013698 (8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077) Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+5	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 40: 3032-9 (1997) Article DOI: 10.1021/jm970271t BindingDB Entry DOI: 10.7270/Q2GX49PG
					More data for this Ligand-Target Pair