TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T50089 Sphingosine-1-phosphate receptor 5 B4J6YM 3-[[4-(2-Ethylphenyl)-1-benzothiophen-2-yl]methylamino]propanoic acid Investigative 134131038 C20H21NO2S 339.5 CCC1=CC=CC=C1C2=C3C=C(SC3=CC=C2)CNCCC(=O)O EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 B71WOI 4-[[[7-(2-Ethylphenyl)-1-benzothiophen-2-yl]methylamino]methyl]benzoic acid Investigative 134131495 C25H23NO2S 401.5 CCC1=CC=CC=C1C2=CC=CC3=C2SC(=C3)CNCC4=CC=C(C=C4)C(=O)O EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 BAY37Q 2-[[7-(2-Ethylphenyl)-1-benzothiophen-2-yl]methylamino]acetic acid Investigative 134130960 C19H19NO2S 325.4 CCC1=CC=CC=C1C2=CC=CC3=C2SC(=C3)CNCC(=O)O EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 BC19LT 2-[4-[(5-Naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]phenyl]acetic acid Investigative 134130704 C27H21NO2S 423.5 C1=CC=C2C=C(C=CC2=C1)C3=CC4=C(C=C3)SC(=C4)CNC5=CC=C(C=C5)CC(=O)O EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 BCZM49 4-[[4-(2-Ethylphenyl)-1-benzothiophen-2-yl]methylamino]butanoic acid Investigative 134131075 C21H23NO2S 353.5 CCC1=CC=CC=C1C2=C3C=C(SC3=CC=C2)CNCCCC(=O)O EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 BD57RO 4-[[7-(6-Methoxynaphthalen-2-yl)-1-benzothiophen-2-yl]methylamino]butanoic acid Investigative 134130292 C24H23NO3S 405.5 COC1=CC2=C(C=C1)C=C(C=C2)C3=CC=CC4=C3SC(=C4)CNCCCC(=O)O EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 BEZ3M1 4-[[(5-Naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]methyl]benzoic acid Investigative 134130243 C27H21NO2S 423.5 C1=CC=C2C=C(C=CC2=C1)C3=CC4=C(C=C3)SC(=C4)CNCC5=CC=C(C=C5)C(=O)O EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 BJL58W 2-Amino-3-[[4-(2-ethylphenyl)-1-benzothiophen-2-yl]methylamino]propanoic acid Investigative 134130071 C20H22N2O2S 354.5 CCC1=CC=CC=C1C2=C3C=C(SC3=CC=C2)CNCC(C(=O)O)N EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 BR7MV0 2-[[4-(2-Ethylphenyl)-1-benzothiophen-2-yl]methylamino]acetic acid Investigative 134130203 C19H19NO2S 325.4 CCC1=CC=CC=C1C2=C3C=C(SC3=CC=C2)CNCC(=O)O EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 BU8O6L 5-[[4-(2-Ethylphenyl)-1-benzothiophen-2-yl]methylamino]pentanoic acid Investigative 134131253 C22H25NO2S 367.5 CCC1=CC=CC=C1C2=C3C=C(SC3=CC=C2)CNCCCCC(=O)O EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 BW05GV 2-[4-[(4-Naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]phenyl]acetic acid Investigative 134131130 C27H21NO2S 423.5 C1=CC=C2C=C(C=CC2=C1)C3=C4C=C(SC4=CC=C3)CNC5=CC=C(C=C5)CC(=O)O EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 BX6I8B 1-[[7-(2-Ethylphenyl)-1-benzothiophen-2-yl]methyl]azetidine-3-carboxylic acid Investigative 134131039 C21H21NO2S 351.5 CCC1=CC=CC=C1C2=CC=CC3=C2SC(=C3)CN4CC(C4)C(=O)O EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 BXAC37 3-[[4-(2-Ethylphenyl)-1-benzothiophen-2-yl]methylamino]-2-methylpropanoic acid Investigative 134131497 C21H23NO2S 353.5 CCC1=CC=CC=C1C2=C3C=C(SC3=CC=C2)CNCC(C)C(=O)O EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 BY8U3F 2-[3-[[4-(2-Ethylphenyl)-1-benzothiophen-2-yl]methylamino]phenyl]acetic acid Investigative 134130145 C25H23NO2S 401.5 CCC1=CC=CC=C1C2=C3C=C(SC3=CC=C2)CNC4=CC=CC(=C4)CC(=O)O EC50 ~ 100000 nM Poor binder T50089 Sphingosine-1-phosphate receptor 5 BZ0FP5 4-[[7-(2-Ethylphenyl)-1-benzothiophen-2-yl]methylamino]butanoic acid Investigative 134130622 C21H23NO2S 353.5 CCC1=CC=CC=C1C2=CC=CC3=C2SC(=C3)CNCCCC(=O)O EC50 ~ 100000 nM Poor binder