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BDBM41443 MLS000060380::N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-quinolin-8-yloxy-ethanamide::N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-quinolin-8-yloxyacetamide::N-(2,5-diethoxy-4-morpholino-phenyl)-2-(8-quinolyloxy)acetamide::N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-(8-quinolinyloxy)acetamide::SMR000066251::cid_2997882

SMILES: CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12

InChI Key: InChIKey=VZELEVCSLRBHEE-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 41443   
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
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM41443
PNG
(MLS000060380 | N-(2,5-diethoxy-4-morpholin-4-yl-ph...)
Show SMILES CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12
Show InChI InChI=1S/C25H29N3O5/c1-3-31-22-16-20(28-11-13-30-14-12-28)23(32-4-2)15-19(22)27-24(29)17-33-21-9-5-7-18-8-6-10-26-25(18)21/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/an/an/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 (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens (Human))
BDBM41443
PNG
(MLS000060380 | N-(2,5-diethoxy-4-morpholin-4-yl-ph...)
Show SMILES CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12
Show InChI InChI=1S/C25H29N3O5/c1-3-31-22-16-20(28-11-13-30-14-12-28)23(32-4-2)15-19(22)27-24(29)17-33-21-9-5-7-18-8-6-10-26-25(18)21/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
PCBioAssay
n/an/a 5.07E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2DZ06SS
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM41443
PNG
(MLS000060380 | N-(2,5-diethoxy-4-morpholin-4-yl-ph...)
Show SMILES CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12
Show InChI InChI=1S/C25H29N3O5/c1-3-31-22-16-20(28-11-13-30-14-12-28)23(32-4-2)15-19(22)27-24(29)17-33-21-9-5-7-18-8-6-10-26-25(18)21/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,27,29)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.99E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PG1Q6D
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM41443
PNG
(MLS000060380 | N-(2,5-diethoxy-4-morpholin-4-yl-ph...)
Show SMILES CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12
Show InChI InChI=1S/C25H29N3O5/c1-3-31-22-16-20(28-11-13-30-14-12-28)23(32-4-2)15-19(22)27-24(29)17-33-21-9-5-7-18-8-6-10-26-25(18)21/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,27,29)
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair