Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50128533'   

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))	BDBM50128533 (5-[4-(2,4-Dichloro-phenyl)-6,7-dimethoxy-3,4-dihyd...) Show SMILES COc1cc2CN(Cc3cnc(N)nc3N)CC(c3ccc(Cl)cc3Cl)c2cc1OC Show InChI InChI=1S/C22H23Cl2N5O2/c1-30-19-5-12-9-29(10-13-8-27-22(26)28-21(13)25)11-17(16(12)7-20(19)31-2)15-4-3-14(23)6-18(15)24/h3-8,17H,9-11H2,1-2H3,(H4,25,26,27,28)	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	7	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))	BDBM50128533 (5-[4-(2,4-Dichloro-phenyl)-6,7-dimethoxy-3,4-dihyd...) Show SMILES COc1cc2CN(Cc3cnc(N)nc3N)CC(c3ccc(Cl)cc3Cl)c2cc1OC Show InChI InChI=1S/C22H23Cl2N5O2/c1-30-19-5-12-9-29(10-13-8-27-22(26)28-21(13)25)11-17(16(12)7-20(19)31-2)15-4-3-14(23)6-18(15)24/h3-8,17H,9-11H2,1-2H3,(H4,25,26,27,28)	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	31	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))	BDBM50128533 (5-[4-(2,4-Dichloro-phenyl)-6,7-dimethoxy-3,4-dihyd...) Show SMILES COc1cc2CN(Cc3cnc(N)nc3N)CC(c3ccc(Cl)cc3Cl)c2cc1OC Show InChI InChI=1S/C22H23Cl2N5O2/c1-30-19-5-12-9-29(10-13-8-27-22(26)28-21(13)25)11-17(16(12)7-20(19)31-2)15-4-3-14(23)6-18(15)24/h3-8,17H,9-11H2,1-2H3,(H4,25,26,27,28)	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	1.70E+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))	BDBM50128533 (5-[4-(2,4-Dichloro-phenyl)-6,7-dimethoxy-3,4-dihyd...) Show SMILES COc1cc2CN(Cc3cnc(N)nc3N)CC(c3ccc(Cl)cc3Cl)c2cc1OC Show InChI InChI=1S/C22H23Cl2N5O2/c1-30-19-5-12-9-29(10-13-8-27-22(26)28-21(13)25)11-17(16(12)7-20(19)31-2)15-4-3-14(23)6-18(15)24/h3-8,17H,9-11H2,1-2H3,(H4,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+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