BDBM50521419 CHEMBL1342201

SMILES: COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1

InChI Key: InChIKey=JMXVHYPSBANVAQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50521419   

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
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521419 (CHEMBL1342201) Show SMILES COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1 Show InChI InChI=1S/C21H18N2O3S/c1-25-15-11-14(12-16(26-2)20(15)24)21-22-18(13-7-4-3-5-8-13)19(23-21)17-9-6-10-27-17/h3-12,24H,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020)
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521419 (CHEMBL1342201) Show SMILES COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1 Show InChI InChI=1S/C21H18N2O3S/c1-25-15-11-14(12-16(26-2)20(15)24)21-22-18(13-7-4-3-5-8-13)19(23-21)17-9-6-10-27-17/h3-12,24H,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horser...				Eur J Med Chem 170: 276-289 (2019) Article DOI: 10.1016/j.ejmech.2019.03.015
					More data for this Ligand-Target Pair