Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50294208'   

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 (Rattus norvegicus (rat))	BDBM50294208 (CHEMBL565059 | methyl 2-(2-(3-(5-((2,4-diaminopyri...) Show SMILES COC(=O)C(C)(C)C1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |c:9| Show InChI InChI=1S/C29H32N6O5/c1-29(2,27(37)40-5)25-21-9-7-6-8-19(21)16-33-35(25)23(36)11-10-18-12-17(14-22(38-3)24(18)39-4)13-20-15-32-28(31)34-26(20)30/h6-12,14-16,25H,13H2,1-5H3,(H4,30,31,32,34)/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of rat DHFR				Antimicrob Agents Chemother 51: 4447-52 (2007) Article DOI: 10.1128/AAC.00628-07 BindingDB Entry DOI: 10.7270/Q25M65RK
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50294208 (CHEMBL565059 | methyl 2-(2-(3-(5-((2,4-diaminopyri...) Show SMILES COC(=O)C(C)(C)C1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |c:9| Show InChI InChI=1S/C29H32N6O5/c1-29(2,27(37)40-5)25-21-9-7-6-8-19(21)16-33-35(25)23(36)11-10-18-12-17(14-22(38-3)24(18)39-4)13-20-15-32-28(31)34-26(20)30/h6-12,14-16,25H,13H2,1-5H3,(H4,30,31,32,34)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR				Antimicrob Agents Chemother 51: 4447-52 (2007) Article DOI: 10.1128/AAC.00628-07 BindingDB Entry DOI: 10.7270/Q25M65RK
					More data for this Ligand-Target Pair