Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-1-tetrahydrofolate synthase, cytoplasmic' and Ligand = 'BDBM50535654'   

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
C-1-tetrahydrofolate synthase, cytoplasmic (Homo sapiens (Human))	BDBM50535654 (CHEMBL4459818) Show SMILES CC1CN(Cc2c1nc([nH]c2=O)-c1ccccc1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C22H19N3O4/c1-13-11-25(21(27)15-7-9-16(10-8-15)22(28)29)12-17-18(13)23-19(24-20(17)26)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,28,29)(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incub...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069 BindingDB Entry DOI: 10.7270/Q2J67MFK
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