TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T81443	Toll-like receptor 4	B0HCK7	CU-CPT17e	Investigative	132585194	C27H24N2O8	504.5	C1COCCC12C=CC3=CC(=C(C=C3O2)OCC4=CC=C(C=C4)[N+](=O)[O-])OCC5=CC=C(C=C5)[N+](=O)[O-]	EC50 ~ 100000 nM	Poor binder
T81443	Toll-like receptor 4	B2I1TG	2-[(E)-[4-[(E)-(Diaminomethylidenehydrazinylidene)methyl]-2,3-bis(prop-2-enoxy)phenyl]methylideneamino]guanidine;dihydrochloride	Investigative	45263351	C16H24Cl2N8O2	431.3	C=CCOC1=C(C=CC(=C1OCC=C)/C=N/N=C(N)N)/C=N/N=C(N)N.Cl.Cl	IC50 = 61400 nM	Poor binder
T81443	Toll-like receptor 4	B5URW1	Chembl4163298	Investigative	141761155	C25H32ClN3O2	442	CC1=CC=C(C=C1)OCCC(CN(C)CC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)O	IC50 = 51540 nM	Poor binder
T81443	Toll-like receptor 4	B70KZP	2-[Methyl({4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)amino]-N-[4-(morpholin-4-yl)phenyl]acetamide	Investigative	2534913	C26H27N5O3S	489.6	CN(CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)CC(=O)NC4=CC=C(C=C4)N5CCOCC5	IC50 = 167500 nM	Poor binder
T81443	Toll-like receptor 4	BBV9C6	N,N-(p-Xylylidene)bisaminoguanidine dihydrochloride	Investigative	9577485	C10H16Cl2N8	319.19	C1=CC(=CC=C1/C=N/N=C(N)N)/C=N/N=C(N)N.Cl.Cl	IC50 = 164000 nM	Poor binder
T81443	Toll-like receptor 4	BH9Z3I	1-[[1-[(2-Chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol	Investigative	4840815	C25H32ClN3O3	458	CCOC1=CC=C(C=C1)OCC(CN(C)CC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)O	IC50 = 110500 nM	Poor binder
T81443	Toll-like receptor 4	BK7A3B	Chembl4167187	Investigative	141761156	C27H37N3O3	451.6	CCOC1=CC=C(C=C1)OCCC(CN(C)CC2=C(N(N=C2C)CC3=CC=CC=C3C)C)O	IC50 = 54600 nM	Poor binder
T81443	Toll-like receptor 4	BML0H8	6-[[(2R)-2-(1,3-Benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine	Investigative	8087741	C22H23N7S	417.5	CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCC[C@@H]3C4=NC5=CC=CC=C5S4	IC50 = 64100 nM	Poor binder
T81443	Toll-like receptor 4	BV1K5T	2-[(E)-[4-[(E)-(Diaminomethylidenehydrazinylidene)methyl]-2,3-dihydroxyphenyl]methylideneamino]guanidine;dihydrochloride	Investigative	136179590	C10H16Cl2N8O2	351.19	C1=CC(=C(C(=C1/C=N/N=C(N)N)O)O)/C=N/N=C(N)N.Cl.Cl	IC50 = 59100 nM	Poor binder
T81443	Toll-like receptor 4	BV6UZ2	2-[(E)-[4-[(E)-(Diaminomethylidenehydrazinylidene)methyl]-2,3-di(tetradecoxy)phenyl]methylideneamino]guanidine;dihydrochloride	Investigative	45265821	C38H72Cl2N8O2	743.9	CCCCCCCCCCCCCCOC1=C(C=CC(=C1OCCCCCCCCCCCCCC)/C=N/N=C(N)N)/C=N/N=C(N)N.Cl.Cl	IC50 = 190000 nM	Poor binder
T81443	Toll-like receptor 4	BW82QL	Chembl4170576	Investigative	141761153	C24H29ClFN3O2	446	CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)CN(C)CC(CCOC3=CC=C(C=C3)F)O	IC50 = 55390 nM	Poor binder
T81443	Toll-like receptor 4	BY5V4Z	2-[(E)-[4-[(E)-(Diaminomethylidenehydrazinylidene)methyl]-2,3-dimethoxyphenyl]methylideneamino]guanidine;dihydrochloride	Investigative	45263359	C12H20Cl2N8O2	379.24	COC1=C(C=CC(=C1OC)/C=N/N=C(N)N)/C=N/N=C(N)N.Cl.Cl	IC50 = 175000 nM	Poor binder