Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50405070'   

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))	BDBM50405070 (CHEMBL30681) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)S(N)(=O)=O)cc1 |t:3,6| Show InChI InChI=1S/C18H22N6O3S/c1-18(2)23-16(19)22-17(20)24(18)13-5-7-14(8-6-13)27-11-12-3-9-15(10-4-12)28(21,25)26/h3-10H,11H2,1-2H3,(H2,21,25,26)(H4,19,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	32	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 (Homo sapiens (Human))	BDBM50405070 (CHEMBL30681) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)S(N)(=O)=O)cc1 |t:3,6| Show InChI InChI=1S/C18H22N6O3S/c1-18(2)23-16(19)22-17(20)24(18)13-5-7-14(8-6-13)27-11-12-3-9-15(10-4-12)28(21,25)26/h3-10H,11H2,1-2H3,(H2,21,25,26)(H4,19,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	62	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 (Lactobacillus casei)	BDBM50405070 (CHEMBL30681) Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(cc2)S(N)(=O)=O)cc1 |t:3,6| Show InChI InChI=1S/C18H22N6O3S/c1-18(2)23-16(19)22-17(20)24(18)13-5-7-14(8-6-13)27-11-12-3-9-15(10-4-12)28(21,25)26/h3-10H,11H2,1-2H3,(H2,21,25,26)(H4,19,20,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.47E+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 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