BDBM50230359 CHEMBL4102631

SMILES: O=C(C(=S)N1CCOCC1)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=ZFPKMDOCVBNFGX-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 = 50230359   

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
Phosphoglycerate dehydrogenase (PHGDH) (Homo sapiens (Human))	BDBM50230359 (CHEMBL4102631) Show SMILES O=C(C(=S)N1CCOCC1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H17NO2S/c20-17(18(22)19-10-12-21-13-11-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...				J Med Chem 60: 1591-1597 (2017) BindingDB Entry DOI: 10.7270/Q21N83CP
					More data for this Ligand-Target Pair