Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial' and Ligand = 'BDBM50535677'   

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
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50535677 (CHEMBL4587935) Show SMILES OC(=O)C1CCC(CC1)C(=O)N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1 |(22.6,-38.48,;21.27,-39.24,;21.26,-40.78,;19.94,-38.47,;18.6,-39.23,;17.27,-38.46,;17.28,-36.92,;18.61,-36.15,;19.94,-36.93,;15.95,-36.15,;15.96,-34.61,;14.62,-36.91,;14.62,-38.46,;13.28,-39.22,;11.95,-38.45,;10.62,-39.22,;9.29,-38.45,;9.28,-36.91,;10.62,-36.14,;10.62,-34.6,;11.95,-36.91,;13.28,-36.13,;7.96,-39.22,;6.63,-38.46,;5.3,-39.23,;5.3,-40.77,;6.63,-41.54,;7.97,-40.77,)| Show InChI InChI=1S/C21H23N3O4/c25-19-16-12-24(20(26)14-6-8-15(9-7-14)21(27)28)11-10-17(16)22-18(23-19)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,27,28)(H,22,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069 BindingDB Entry DOI: 10.7270/Q2J67MFK
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