Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50128531'   

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 (Staphylococcus aureus (strain MW2))	BDBM50128531 (5-(7-Benzyl-1-methyl-6-phenyl-3,4-dihydro-1H-pyrro...) Show SMILES CC1N(Cc2cnc(N)nc2N)CCn2c1cc(Cc1ccccc1)c2-c1ccccc1 Show InChI InChI=1S/C26H28N6/c1-18-23-15-21(14-19-8-4-2-5-9-19)24(20-10-6-3-7-11-20)32(23)13-12-31(18)17-22-16-29-26(28)30-25(22)27/h2-11,15-16,18H,12-14,17H2,1H3,(H4,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128531 (5-(7-Benzyl-1-methyl-6-phenyl-3,4-dihydro-1H-pyrro...) Show SMILES CC1N(Cc2cnc(N)nc2N)CCn2c1cc(Cc1ccccc1)c2-c1ccccc1 Show InChI InChI=1S/C26H28N6/c1-18-23-15-21(14-19-8-4-2-5-9-19)24(20-10-6-3-7-11-20)32(23)13-12-31(18)17-22-16-29-26(28)30-25(22)27/h2-11,15-16,18H,12-14,17H2,1H3,(H4,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	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 TMP-susceptible Dihydrofolate reductase against 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))	BDBM50128531 (5-(7-Benzyl-1-methyl-6-phenyl-3,4-dihydro-1H-pyrro...) Show SMILES CC1N(Cc2cnc(N)nc2N)CCn2c1cc(Cc1ccccc1)c2-c1ccccc1 Show InChI InChI=1S/C26H28N6/c1-18-23-15-21(14-19-8-4-2-5-9-19)24(20-10-6-3-7-11-20)32(23)13-12-31(18)17-22-16-29-26(28)30-25(22)27/h2-11,15-16,18H,12-14,17H2,1H3,(H4,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	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))	BDBM50128531 (5-(7-Benzyl-1-methyl-6-phenyl-3,4-dihydro-1H-pyrro...) Show SMILES CC1N(Cc2cnc(N)nc2N)CCn2c1cc(Cc1ccccc1)c2-c1ccccc1 Show InChI InChI=1S/C26H28N6/c1-18-23-15-21(14-19-8-4-2-5-9-19)24(20-10-6-3-7-11-20)32(23)13-12-31(18)17-22-16-29-26(28)30-25(22)27/h2-11,15-16,18H,12-14,17H2,1H3,(H4,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	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