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SMILES: OC(=O)c1ccc(C(=O)N2CCc3nc([nH]c(=O)c3C2)-c2ccccc2)c2ccccc12

InChI Key: InChIKey=AZXAVMXQBBGJGS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50535665   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial


(Homo sapiens (Human))		BDBM50535665
PNG
(CHEMBL4443536)
Show SMILES OC(=O)c1ccc(C(=O)N2CCc3nc([nH]c(=O)c3C2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H19N3O4/c29-23-20-14-28(13-12-21(20)26-22(27-23)15-6-2-1-3-7-15)24(30)18-10-11-19(25(31)32)17-9-5-4-8-16(17)18/h1-11H,12-14H2,(H,31,32)(H,26,27,29)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/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