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SMILES: C(N1CCN(CC1)c1ccccc1)c1ccnc2ccccc12

InChI Key: InChIKey=HRCITNWLOQMDGX-UHFFFAOYSA-N

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 = 37266   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37266
PNG
(4-[(4-phenyl-1-piperazinyl)methyl]quinoline | 4-[(...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccnc2ccccc12
Show InChI InChI=1S/C20H21N3/c1-2-6-18(7-3-1)23-14-12-22(13-15-23)16-17-10-11-21-20-9-5-4-8-19(17)20/h1-11H,12-16H2
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PCBioAssay
n/an/an/an/a 1.06E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37266
PNG
(4-[(4-phenyl-1-piperazinyl)methyl]quinoline | 4-[(...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccnc2ccccc12
Show InChI InChI=1S/C20H21N3/c1-2-6-18(7-3-1)23-14-12-22(13-15-23)16-17-10-11-21-20-9-5-4-8-19(17)20/h1-11H,12-16H2
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PCBioAssay
n/an/an/an/a 9.24E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37266
PNG
(4-[(4-phenyl-1-piperazinyl)methyl]quinoline | 4-[(...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccnc2ccccc12
Show InChI InChI=1S/C20H21N3/c1-2-6-18(7-3-1)23-14-12-22(13-15-23)16-17-10-11-21-20-9-5-4-8-19(17)20/h1-11H,12-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 4.79E+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 (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair