Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50128534'   

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))	BDBM50128534 (5-(4,11-Dimethyl-1,2,4,11-tetrahydro-pyrido[4,3-a]...) Show SMILES CC1N(Cc2cnc(N)nc2N)CCc2c1ccc1c3ccccc3n(C)c21 Show InChI InChI=1S/C22H24N6/c1-13-15-7-8-17-16-5-3-4-6-19(16)27(2)20(17)18(15)9-10-28(13)12-14-11-25-22(24)26-21(14)23/h3-8,11,13H,9-10,12H2,1-2H3,(H4,23,24,25,26)	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	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 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))	BDBM50128534 (5-(4,11-Dimethyl-1,2,4,11-tetrahydro-pyrido[4,3-a]...) Show SMILES CC1N(Cc2cnc(N)nc2N)CCc2c1ccc1c3ccccc3n(C)c21 Show InChI InChI=1S/C22H24N6/c1-13-15-7-8-17-16-5-3-4-6-19(16)27(2)20(17)18(15)9-10-28(13)12-14-11-25-22(24)26-21(14)23/h3-8,11,13H,9-10,12H2,1-2H3,(H4,23,24,25,26)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory 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))	BDBM50128534 (5-(4,11-Dimethyl-1,2,4,11-tetrahydro-pyrido[4,3-a]...) Show SMILES CC1N(Cc2cnc(N)nc2N)CCc2c1ccc1c3ccccc3n(C)c21 Show InChI InChI=1S/C22H24N6/c1-13-15-7-8-17-16-5-3-4-6-19(16)27(2)20(17)18(15)9-10-28(13)12-14-11-25-22(24)26-21(14)23/h3-8,11,13H,9-10,12H2,1-2H3,(H4,23,24,25,26)	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	85	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))	BDBM50128534 (5-(4,11-Dimethyl-1,2,4,11-tetrahydro-pyrido[4,3-a]...) Show SMILES CC1N(Cc2cnc(N)nc2N)CCc2c1ccc1c3ccccc3n(C)c21 Show InChI InChI=1S/C22H24N6/c1-13-15-7-8-17-16-5-3-4-6-19(16)27(2)20(17)18(15)9-10-28(13)12-14-11-25-22(24)26-21(14)23/h3-8,11,13H,9-10,12H2,1-2H3,(H4,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+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