Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50128535'   

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))	BDBM50128535 (5-(4-Methoxy-9-methyl-6,9-dihydro-7H-[1,3]dioxolo[...) Show SMILES COc1cc2CCN(Cc3cnc(N)nc3N)[C@H](C)c2c2OCOc12 Show InChI InChI=1S/C17H21N5O3/c1-9-13-10(5-12(23-2)14-15(13)25-8-24-14)3-4-22(9)7-11-6-20-17(19)21-16(11)18/h5-6,9H,3-4,7-8H2,1-2H3,(H4,18,19,20,21)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128535 (5-(4-Methoxy-9-methyl-6,9-dihydro-7H-[1,3]dioxolo[...) Show SMILES COc1cc2CCN(Cc3cnc(N)nc3N)[C@H](C)c2c2OCOc12 Show InChI InChI=1S/C17H21N5O3/c1-9-13-10(5-12(23-2)14-15(13)25-8-24-14)3-4-22(9)7-11-6-20-17(19)21-16(11)18/h5-6,9H,3-4,7-8H2,1-2H3,(H4,18,19,20,21)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antibacterial activity of the compound against TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128535 (5-(4-Methoxy-9-methyl-6,9-dihydro-7H-[1,3]dioxolo[...) Show SMILES COc1cc2CCN(Cc3cnc(N)nc3N)[C@H](C)c2c2OCOc12 Show InChI InChI=1S/C17H21N5O3/c1-9-13-10(5-12(23-2)14-15(13)25-8-24-14)3-4-22(9)7-11-6-20-17(19)21-16(11)18/h5-6,9H,3-4,7-8H2,1-2H3,(H4,18,19,20,21)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antibacterial activity against TMP-Resistance Dihydrofolate reductase from Staphylococcus pneumoniae 1/1				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Staphylococcus aureus (strain MW2))	BDBM50128535 (5-(4-Methoxy-9-methyl-6,9-dihydro-7H-[1,3]dioxolo[...) Show SMILES COc1cc2CCN(Cc3cnc(N)nc3N)[C@H](C)c2c2OCOc12 Show InChI InChI=1S/C17H21N5O3/c1-9-13-10(5-12(23-2)14-15(13)25-8-24-14)3-4-22(9)7-11-6-20-17(19)21-16(11)18/h5-6,9H,3-4,7-8H2,1-2H3,(H4,18,19,20,21)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against TMP-Resistance Dihydrofolate reductase from Staphylococcus aureus 157/4696				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair