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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 4' and Ligand = 'BDBM54824'   
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 4


(Homo sapiens (Human))		BDBM54824
PNG
(2-(4,5-dichloro-6-keto-pyridazin-1-yl)-N-(5-methox...)
Show SMILES COc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)cc1[N+]([O-])=O
Show InChI InChI=1S/C14H12Cl2N4O5/c1-7-3-10(20(23)24)11(25-2)4-9(7)18-12(21)6-19-14(22)13(16)8(15)5-17-19/h3-5H,6H2,1-2H3,(H,18,21)
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PCBioAssay
n/an/a 6.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair