BDBM50535661 CHEMBL4513881

SMILES: NC(=O)c1ccc(cc1)C(=O)N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1

InChI Key: InChIKey=FQUMSYXDXWDTQP-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 = 50535661   

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))	BDBM50535661 (CHEMBL4513881) Show SMILES NC(=O)c1ccc(cc1)C(=O)N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1 Show InChI InChI=1S/C21H18N4O3/c22-18(26)13-6-8-15(9-7-13)21(28)25-11-10-17-16(12-25)20(27)24-19(23-17)14-4-2-1-3-5-14/h1-9H,10-12H2,(H2,22,26)(H,23,24,27)	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