BDBM50540366 CHEMBL4635335

SMILES: COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)C(F)(F)c1ccccc1

InChI Key: InChIKey=HLRLPYYEIHNJIZ-OAQYLSRUSA-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 = 50540366   

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)	BDBM50540366 (CHEMBL4635335) Show SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)C(F)(F)c1ccccc1 |r| Show InChI InChI=1S/C28H29F2N5O3/c1-17-14-22(34-13-12-21(16-34)32-27(36)28(29,30)20-8-6-5-7-9-20)26-31-18(2)25(35(26)33-17)19-10-11-23(37-3)24(15-19)38-4/h5-11,14-15,21H,12-13,16H2,1-4H3,(H,32,36)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	100	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