Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50190620'   

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 (Escherichia coli)	BDBM50190620 (CHEMBL3828724) Show SMILES OC(=O)C(F)(F)F.CCc1nc(N)nc(N)c1C#CCc1cc(ccc1OC)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C23H22N4O3.C2HF3O2/c1-3-19-18(21(24)27-23(25)26-19)9-5-7-16-12-15(10-11-20(16)30-2)14-6-4-8-17(13-14)22(28)29;3-2(4,5)1(6)7/h4,6,8,10-13H,3,7H2,1-2H3,(H,28,29)(H4,24,25,26,27);(H,6,7)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dihydrof...				ACS Med Chem Lett 7: 692-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00120 BindingDB Entry DOI: 10.7270/Q2DJ5HKK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Staphylococcus aureus)	BDBM50190620 (CHEMBL3828724) Show SMILES OC(=O)C(F)(F)F.CCc1nc(N)nc(N)c1C#CCc1cc(ccc1OC)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C23H22N4O3.C2HF3O2/c1-3-19-18(21(24)27-23(25)26-19)9-5-7-16-12-15(10-11-20(16)30-2)14-6-4-8-17(13-14)22(28)29;3-2(4,5)1(6)7/h4,6,8,10-13H,3,7H2,1-2H3,(H,28,29)(H4,24,25,26,27);(H,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of recombinant Staphylococcus aureus DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dih...				ACS Med Chem Lett 7: 692-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00120 BindingDB Entry DOI: 10.7270/Q2DJ5HKK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50190620 (CHEMBL3828724) Show SMILES OC(=O)C(F)(F)F.CCc1nc(N)nc(N)c1C#CCc1cc(ccc1OC)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C23H22N4O3.C2HF3O2/c1-3-19-18(21(24)27-23(25)26-19)9-5-7-16-12-15(10-11-20(16)30-2)14-6-4-8-17(13-14)22(28)29;3-2(4,5)1(6)7/h4,6,8,10-13H,3,7H2,1-2H3,(H,28,29)(H4,24,25,26,27);(H,6,7)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	346	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in NADPH oxidation using dihydrofolate as substrate preincubated for 5 mins followed by su...				ACS Med Chem Lett 7: 692-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00120 BindingDB Entry DOI: 10.7270/Q2DJ5HKK
					More data for this Ligand-Target Pair