Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50090051'   

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 (Gallus gallus (Chicken))	BDBM50090051 (6,6-Dimethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine...) Show SMILES Cc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:10,13| Show InChI InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)				J Med Chem 27: 129-43 (1984) BindingDB Entry DOI: 10.7270/Q2TT4S5M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM50090051 (6,6-Dimethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine...) Show SMILES Cc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:10,13| Show InChI InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii.				J Med Chem 38: 967-72 (1995) BindingDB Entry DOI: 10.7270/Q2Z039BN
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50090051 (6,6-Dimethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine...) Show SMILES Cc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:10,13| Show InChI InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50090051 (6,6-Dimethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine...) Show SMILES Cc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:10,13| Show InChI InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis				Eur J Med Chem 103: 600-14 (2015) Article DOI: 10.1016/j.ejmech.2015.08.021 BindingDB Entry DOI: 10.7270/Q2DR2ZGJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50090051 (6,6-Dimethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine...) Show SMILES Cc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:10,13| Show InChI InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)				J Med Chem 27: 129-43 (1984) BindingDB Entry DOI: 10.7270/Q2TT4S5M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50090051 (6,6-Dimethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine...) Show SMILES Cc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:10,13| Show InChI InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DHFR assessed as NADP formation				Eur J Med Chem 103: 600-14 (2015) Article DOI: 10.1016/j.ejmech.2015.08.021 BindingDB Entry DOI: 10.7270/Q2DR2ZGJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50090051 (6,6-Dimethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine...) Show SMILES Cc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:10,13| Show InChI InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9.32E+3	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry				Eur J Med Chem 103: 600-14 (2015) Article DOI: 10.1016/j.ejmech.2015.08.021 BindingDB Entry DOI: 10.7270/Q2DR2ZGJ
					More data for this Ligand-Target Pair