Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial' and Ligand = 'BDBM50535669'   

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))	BDBM50535669 (CHEMBL1233930) Show SMILES Nc1nc(O)c2N3[C@@H](CN(C3=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2n1 |r| Show InChI InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	663	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of His-tagged human MTHFD2 ( 36 to 350 residues) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before folitixorin and...				ACS Med Chem Lett 10: 893-898 (2019) Article DOI: 10.1021/acsmedchemlett.9b00069 BindingDB Entry DOI: 10.7270/Q2J67MFK
					More data for this Ligand-Target Pair				3D Structure (crystal)