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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::cid_2999577

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

InChI Key: InChIKey=JFOVNJQCUHRYOI-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 42310   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Kallikrein 5


(Homo sapiens)
BDBM42310
PNG
(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/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 5.00E+4n/an/an/an/an/an/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
Glucosylceramidase


(Homo sapiens (human))
BDBM42310
PNG
(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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/an/an/a 2.65E+3n/an/an/an/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