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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 = 'BDBM37386'   
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))		BDBM37386
PNG
(2-keto-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[...)
Show SMILES O=c1[nH]c2ccc(cc2o1)S(=O)(=O)Nc1ccc(cc1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H19N5O4S/c26-20-21-16-10-9-15(12-17(16)29-20)30(27,28)24-14-7-5-13(6-8-14)19-23-22-18-4-2-1-3-11-25(18)19/h5-10,12,24H,1-4,11H2,(H,21,26)
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PC cid
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n/an/a>4.98E+4n/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/Q2XD102D
More data for this
Ligand-Target Pair