BDBM42310 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-methyl-[2-(3-pyridyl)quinazolin-4-yl]amine::MLS000058502::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(3-pyridinyl)-4-quinazolinamine::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-pyridin-3-yl-quinazolin-4-amine::N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine::SMR000068089::US10167270, Example 3::cid_2999577

SMILES: CN(CC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1

InChI Key: InChIKey=JFOVNJQCUHRYOI-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 42310   

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))	BDBM42310 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl-methyl-[2-(...) Show SMILES CN(CC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1 Show InChI InChI=1S/C23H20N4O2/c1-27(14-17-15-28-20-10-4-5-11-21(20)29-17)23-18-8-2-3-9-19(18)25-22(26-23)16-7-6-12-24-13-16/h2-13,17H,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23J3BC8
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM42310 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl-methyl-[2-(...) Show SMILES CN(CC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1 Show InChI InChI=1S/C23H20N4O2/c1-27(14-17-15-28-20-10-4-5-11-21(20)29-17)23-18-8-2-3-9-19(18)25-22(26-23)16-7-6-12-24-13-16/h2-13,17H,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.78E+3	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
Kallikrein 5 (Homo sapiens (Human))	BDBM42310 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl-methyl-[2-(...) Show SMILES CN(CC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1 Show InChI InChI=1S/C23H20N4O2/c1-27(14-17-15-28-20-10-4-5-11-21(20)29-17)23-18-8-2-3-9-19(18)25-22(26-23)16-7-6-12-24-13-16/h2-13,17H,14-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GC8
					More data for this Ligand-Target Pair