Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50291776'   

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 (Lactobacillus casei)	BDBM50291776 (3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)S(N)(=O)=O |t:3,6| Show InChI InChI=1S/C11H16N6O2S/c1-11(2)16-9(12)15-10(13)17(11)7-4-3-5-8(6-7)20(14,18)19/h3-6H,1-2H3,(H2,14,18,19)(H4,12,13,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	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 24: 1422-9 (1981) BindingDB Entry DOI: 10.7270/Q2VM4FF9
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Gallus gallus (Chicken))	BDBM50291776 (3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)S(N)(=O)=O |t:3,6| Show InChI InChI=1S/C11H16N6O2S/c1-11(2)16-9(12)15-10(13)17(11)7-4-3-5-8(6-7)20(14,18)19/h3-6H,1-2H3,(H2,14,18,19)(H4,12,13,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+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 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 (Escherichia coli)	BDBM50291776 (3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)S(N)(=O)=O |t:3,6| Show InChI InChI=1S/C11H16N6O2S/c1-11(2)16-9(12)15-10(13)17(11)7-4-3-5-8(6-7)20(14,18)19/h3-6H,1-2H3,(H2,14,18,19)(H4,12,13,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.08E+4	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 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 (Lactobacillus casei)	BDBM50291776 (3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...) Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)S(N)(=O)=O |t:3,6| Show InChI InChI=1S/C11H16N6O2S/c1-11(2)16-9(12)15-10(13)17(11)7-4-3-5-8(6-7)20(14,18)19/h3-6H,1-2H3,(H2,14,18,19)(H4,12,13,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.17E+6	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