BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 2' and Ligand = 'BDBM41602'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM41602
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-5H-py...)
Show SMILES Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H18N4/c1-13-6-7-17-16(10-13)18-19(23-17)20(22-12-21-18)24-9-8-14-4-2-3-5-15(14)11-24/h2-7,10,12,23H,8-9,11H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 569n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2WQ027W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM41602
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-5H-py...)
Show SMILES Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H18N4/c1-13-6-7-17-16(10-13)18-19(23-17)20(22-12-21-18)24-9-8-14-4-2-3-5-15(14)11-24/h2-7,10,12,23H,8-9,11H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.63E+3n/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/Q2B56H4Q
More data for this
Ligand-Target Pair