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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM37328'   
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 3


(Homo sapiens (Human))
BDBM37328
PNG
(2-(4,6-dimethyl-2-pyrimidinyl)-4-[(4-fluorophenyl)...)
Show SMILES Cc1nn(c(N)c1Sc1ccc(F)cc1)-c1nc(C)cc(C)n1
Show InChI InChI=1S/C16H16FN5S/c1-9-8-10(2)20-16(19-9)22-15(18)14(11(3)21-22)23-13-6-4-12(17)5-7-13/h4-8H,18H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.34E+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 Networ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PZ576Z
More data for this
Ligand-Target Pair