TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T11241 Sphingosine-1-phosphate receptor 3 B2J1CB 1-[[4-[5-[Butyl-(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Investigative 45377938 C25H28N4O4S 480.6 CCCCN(C1=NN=C(S1)C2=CC=C(C=C2)CN3CC(C3)C(=O)O)C(=O)C4=CC=CC=C4OC EC50 = 427000 nM Non binder T11241 Sphingosine-1-phosphate receptor 3 B39NTV 1-[[4-[5-[Butyl-(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Investigative 58390822 C25H28N4O3S 464.6 CCCCN(C1=NN=C(S1)C2=CC=C(C=C2)CN3CC(C3)C(=O)O)C(=O)CC4=CC=CC=C4 EC50 = 720000 nM Non binder T11241 Sphingosine-1-phosphate receptor 3 B3U2PR 6-(Cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dimethylamino)methyl)phenyl)pyrimidine-4-carboxamide Investigative 25182921 C24H33N5O 407.6 CN(C)CC1=CC=C(C=C1)NC(=O)C2=CC(=NC=N2)N(CC3CC3)C4CCCCC4 EC50 = 1014000 nM Non binder T11241 Sphingosine-1-phosphate receptor 3 B96HXU 2-({4-[({6-[Cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl}carbonyl)amino]benzyl}amino)butanoic acid Investigative 25182924 C26H35N5O3 465.6 CCC(C(=O)O)NCC1=CC=C(C=C1)NC(=O)C2=CC(=NC=N2)N(CC3CC3)C4CCCCC4 EC50 = 4890000 nM Non binder T11241 Sphingosine-1-phosphate receptor 3 BE38VM 3-(4-(6-(Cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)benzylamino)propanoic acid Investigative 25182926 C25H33N5O3 451.6 C1CCC(CC1)N(CC2CC2)C3=NC=NC(=C3)C(=O)NC4=CC=C(C=C4)CNCCC(=O)O EC50 = 1094000 nM Non binder T11241 Sphingosine-1-phosphate receptor 3 BE85IJ 1-[[4-[5-[Benzoyl(butyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid Investigative 45377248 C24H26N4O3S 450.6 CCCCN(C1=NN=C(S1)C2=CC=C(C=C2)CN3CC(C3)C(=O)O)C(=O)C4=CC=CC=C4 EC50 = 400000 nM Non binder