BDBM313446 US10167270, Example 145

SMILES: CC(C)(C)OC(=O)NCCCCCC(=O)Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1

InChI Key: InChIKey=IMWFXFHZTKSNCN-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 = 313446   

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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM313446 (US10167270, Example 145) Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1 Show InChI InChI=1S/C34H39N5O3/c1-34(2,3)42-33(41)35-20-10-4-5-15-30(40)36-26-18-16-23(17-19-26)31-38-29-14-9-8-13-28(29)32(39-31)37-27-21-24-11-6-7-12-25(24)22-27/h6-9,11-14,16-19,27H,4-5,10,15,20-22H2,1-3H3,(H,35,41)(H,36,40)(H,37,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...				US Patent US10167270 (2019) BindingDB Entry DOI: 10.7270/Q2862JH8
					More data for this Ligand-Target Pair