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BDBM31007 1-(diethylamino)-7-methyl-3-(4-morpholinyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile::1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile::1-(diethylamino)-7-methyl-3-morpholino-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile::MLS000071264::SMR000037346::cid_659395

SMILES: CCN(CC)c1nc(N2CCOCC2)c(C#N)c2CCN(C)Cc12

InChI Key: InChIKey=NBAPZTQKBHEQEF-UHFFFAOYSA-N

Data: 3 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 = 31007   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM31007
PNG
(1-(diethylamino)-7-methyl-3-(4-morpholinyl)-6,8-di...)
Show SMILES CCN(CC)c1nc(N2CCOCC2)c(C#N)c2CCN(C)Cc12
Show InChI InChI=1S/C18H27N5O/c1-4-22(5-2)18-16-13-21(3)7-6-14(16)15(12-19)17(20-18)23-8-10-24-11-9-23/h4-11,13H2,1-3H3
PDB

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UniProtKB/TrEMBL

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PCBioAssay
n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WW7G03
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31007
PNG
(1-(diethylamino)-7-methyl-3-(4-morpholinyl)-6,8-di...)
Show SMILES CCN(CC)c1nc(N2CCOCC2)c(C#N)c2CCN(C)Cc12
Show InChI InChI=1S/C18H27N5O/c1-4-22(5-2)18-16-13-21(3)7-6-14(16)15(12-19)17(20-18)23-8-10-24-11-9-23/h4-11,13H2,1-3H3
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

antibodypedia
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UniChem

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PCBioAssay
n/an/an/an/a>4.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PN941W
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31007
PNG
(1-(diethylamino)-7-methyl-3-(4-morpholinyl)-6,8-di...)
Show SMILES CCN(CC)c1nc(N2CCOCC2)c(C#N)c2CCN(C)Cc12
Show InChI InChI=1S/C18H27N5O/c1-4-22(5-2)18-16-13-21(3)7-6-14(16)15(12-19)17(20-18)23-8-10-24-11-9-23/h4-11,13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.75E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q52MZM
More data for this
Ligand-Target Pair