BindingDB logo
myBDB logout

BDBM42369 1-(3-ethoxypropyl)-2-imino-10-methyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide::1-(3-ethoxypropyl)-2-imino-10-methyl-N-(2-morpholin-4-ylethyl)-5-oxodipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide::1-(3-ethoxypropyl)-2-imino-10-methyl-N-[2-(4-morpholinyl)ethyl]-5-oxo-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxamide::1-(3-ethoxypropyl)-2-imino-5-keto-10-methyl-N-(2-morpholinoethyl)dipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide::2-azanylidene-1-(3-ethoxypropyl)-10-methyl-N-(2-morpholin-4-ylethyl)-5-oxidanylidene-dipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide::MLS000085141::SMR000019681::cid_3244697

SMILES: CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCN2CCOCC2)c1=N

InChI Key: InChIKey=FAGACOLOZVLICA-UHFFFAOYSA-N

Data: 2 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 = 42369   
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 7


(Homo sapiens (Human))
BDBM42369
PNG
(1-(3-ethoxypropyl)-2-imino-10-methyl-N-(2-morpholi...)
Show SMILES CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCN2CCOCC2)c1=N
Show InChI InChI=1S/C24H32N6O4/c1-3-33-13-5-9-29-20(25)18(23(31)26-7-10-28-11-14-34-15-12-28)16-19-22(29)27-21-17(2)6-4-8-30(21)24(19)32/h4,6,8,16,25H,3,5,7,9-15H2,1-2H3,(H,26,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM42369
PNG
(1-(3-ethoxypropyl)-2-imino-10-methyl-N-(2-morpholi...)
Show SMILES CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCN2CCOCC2)c1=N
Show InChI InChI=1S/C24H32N6O4/c1-3-33-13-5-9-29-20(25)18(23(31)26-7-10-28-11-14-34-15-12-28)16-19-22(29)27-21-17(2)6-4-8-30(21)24(19)32/h4,6,8,16,25H,3,5,7,9-15H2,1-2H3,(H,26,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.00E+4n/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