BDBM50535656 CHEMBL4470073

SMILES: CC1(C)CN(Cc2c1nc([nH]c2=O)-c1ccccc1)C(=O)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=HKMYMFNSZXMUCE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50535656   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50535656 (CHEMBL4470073) Show SMILES CC1(C)CN(Cc2c1nc([nH]c2=O)-c1ccccc1)C(=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H21N3O4/c1-23(2)13-26(21(28)15-8-10-16(11-9-15)22(29)30)12-17-18(23)24-19(25-20(17)27)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,29,30)(H,24,25,27)	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
					More data for this Ligand-Target Pair