Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50036492'   

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))	BDBM50036492 (5-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-q...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C18H21N5O2/c1-23(14-9-12(24-2)7-8-15(14)25-3)10-11-5-4-6-13-16(11)17(19)22-18(20)21-13/h4-9H,10H2,1-3H3,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductase				J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50036492 (5-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-q...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C18H21N5O2/c1-23(14-9-12(24-2)7-8-15(14)25-3)10-11-5-4-6-13-16(11)17(19)22-18(20)21-13/h4-9H,10H2,1-3H3,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory compound against Wild-type human DHFR.				J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50036492 (5-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-q...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C18H21N5O2/c1-23(14-9-12(24-2)7-8-15(14)25-3)10-11-5-4-6-13-16(11)17(19)22-18(20)21-13/h4-9H,10H2,1-3H3,(H4,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Pneumocystis carinii Dihydrofolate reductase				J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50036492 (5-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-q...) Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cccc2nc(N)nc(N)c12 Show InChI InChI=1S/C18H21N5O2/c1-23(14-9-12(24-2)7-8-15(14)25-3)10-11-5-4-6-13-16(11)17(19)22-18(20)21-13/h4-9H,10H2,1-3H3,(H4,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against rat liver Dihydrofolate reductase				J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK
					More data for this Ligand-Target Pair