TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T25258	Multidrug resistance protein 1	D01QIN	Atorvastatin	Approved	60823	C33H35FN2O5	558.6	CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4	IC50 = 271000 nM	Non binder
T25258	Multidrug resistance protein 1	D04JEE	Propranolol	Approved	21138	C16H21NO2	259.339	CC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O	IC50 = 583000 nM	Non binder
T25258	Multidrug resistance protein 1	D09LNI	Fluconazole	Approved	3365	C13H12F2N6O	306.27	C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O	Ki > 400000 nM	Non binder
T25258	Multidrug resistance protein 1	D09QVV	Vincristine	Approved	5978	C46H56N4O10	825	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	Ki = 213000 nM	Non binder
T25258	Multidrug resistance protein 1	D0A4IJ	Abacavir	Approved	441300	C14H18N6O	286.33	C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO	IC50 > 500000 nM	Non binder
T25258	Multidrug resistance protein 1	D0AZ3C	Imatinib	Approved	5291	C29H31N7O	493.6	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	IC50 = 15135612484 nM	Non binder
T25258	Multidrug resistance protein 1	D0J4JM	Reserpine	Approved	5770	C33H40N2O9	608.7	CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC	IC50 = 75857757503 nM	Non binder
T25258	Multidrug resistance protein 1	D0O5NK	Oseltamivir	Approved	65028	C16H28N2O4	312.4	CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC	IC50 = 1300000 nM	Non binder
T25258	Multidrug resistance protein 1	D0T0KA	Nicardipine	Approved	4474	C26H29N3O6	479.5	CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC	IC50 = 275000000000 nM	Non binder
T25258	Multidrug resistance protein 1	B5AQ9P	2-Ethoxyethyl 4-aminobenzoate	Investigative	1563361	C11H15NO3	209.24	CCOCCOC(=O)C1=CC=C(C=C1)N	EC50 = 311800 nM	Non binder
T25258	Multidrug resistance protein 1	B8WYA9	Dihydroergocryptine	Investigative	114948	C32H43N5O5	577.7	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O	Ki = 360500 nM	Non binder
T25258	Multidrug resistance protein 1	B9FDU1	N-(2-((4-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)carbamoyl)phenyl)-3,4-dimethoxybenzamide	Investigative	11957988	C35H37N3O6	595.7	COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CCN4CCC5=CC(=C(C=C5C4)OC)OC)OC	IC50 = 776000000000 nM	Non binder
T25258	Multidrug resistance protein 1	B9P1CD	4-Iodo-1-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide	Investigative	1221769	C10H11IN6O2	374.14	CN1C=C(C(=N1)C(=O)NNC(=O)C2=CC=NN2C)I	EC50 > 500000 nM	Non binder
T25258	Multidrug resistance protein 1	B9QE2S	N-[2-[[4-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoylamino]phenyl]quinoline-3-carboxamide	Investigative	44438016	C34H31N5O2	541.6	C1CN(CC2=CC=CC=C21)CCC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4NC(=O)C5=CC6=CC=CC=C6N=C5	IC50 = 398000000000 nM	Non binder
T25258	Multidrug resistance protein 1	BE1P4Q	Celiprolol	Investigative	2663	C20H33N3O4	379.5	CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C	Ki = 313000 nM	Non binder
T25258	Multidrug resistance protein 1	BGOB78	2-(2-(3-Phenylpropanoyl)phenoxy)acetic acid	Investigative	44421044	C17H16O4	284.31	C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2OCC(=O)O	EC50 = 1588000 nM	Non binder
T25258	Multidrug resistance protein 1	BGR58N	Dihydroergocristine	Investigative	107715	C35H41N5O5	611.7	CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C	Ki = 511000 nM	Non binder
T25258	Multidrug resistance protein 1	BI1XC3	Propranolol	Investigative	4946	C16H21NO2	259.339	CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O	IC50 = 573000 nM	Non binder
T25258	Multidrug resistance protein 1	BIE98S	(4Z)-2,5-Dimethyl-4-[phenyl(propylamino)methylene]-2,4-dihydro-3H-pyrazol-3-one	Investigative	639630	C15H19N3O	257.329	CCCN=C(C1=CC=CC=C1)C2=C(NN(C2=O)C)C	EC50 = 272500 nM	Non binder
T25258	Multidrug resistance protein 1	BJR5C2	3-[4-(4-Methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-4,5-dihydro-1H-pyridazin-6-one	Investigative	44420789	C13H13N5O2S	303.34	COC1=CC=C(C=C1)N2C(=NNC2=S)C3=NNC(=O)CC3	EC50 > 250000 nM	Non binder
T25258	Multidrug resistance protein 1	BL4H9B	Quinidine	Investigative	441074	C20H24N2O2	324.4	COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O	IC50 = 340000 nM	Non binder
T25258	Multidrug resistance protein 1	BP8A6H	(E)-3-(3-Iodo-4,5-dimethoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one	Investigative	134141004	C21H17IO3	444.3	COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC3=CC=CC=C3C=C2)I)OC	IC50 > 500000 nM	Non binder
T25258	Multidrug resistance protein 1	BRY54V	2-Amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-one	Investigative	647240	C10H10N2OS2	238.3	C1CCC2=C(C1)C3=C(S2)N=C(SC3=O)N	IC50 > 200000 nM	Non binder
T25258	Multidrug resistance protein 1	BSB6Y9	(E)-3-(3-Bromo-4,5-dimethoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one	Investigative	134134470	C21H17BrO3	397.3	COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC3=CC=CC=C3C=C2)Br)OC	IC50 > 500000 nM	Non binder
T25258	Multidrug resistance protein 1	BVK97S	Ethanone, 1-[4-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]-	Investigative	3474421	C15H21NO4	279.33	CC(=O)C1=CC=C(C=C1)OCC(CN2CCOCC2)O	EC50 = 302100 nM	Non binder
T25258	Multidrug resistance protein 1	BX3HT5	Methyleugenolglycol	Investigative	117804	C11H16O4	212.24	COC1=C(C=C(C=C1)CC(CO)O)OC	EC50 > 500000 nM	Non binder
T25258	Multidrug resistance protein 1	BXON47	1-[2-(2-Hydroxy-3-morpholin-4-ylpropoxy)phenyl]ethanone	Investigative	2968016	C15H21NO4	279.33	CC(=O)C1=CC=CC=C1OCC(CN2CCOCC2)O	EC50 = 207000 nM	Non binder
T25258	Multidrug resistance protein 1	BY1L4E	(E)-3-(3-Chloro-4,5-dimethoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one	Investigative	6256073	C21H17ClO3	352.8	COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC3=CC=CC=C3C=C2)Cl)OC	IC50 > 500000 nM	Non binder
T25258	Multidrug resistance protein 1	BY9K7A	3-[[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]methyl]pyridine	Investigative	11973926	C21H21NO2	319.4	COC1=CC=CC(=C1)CCC2=CC=CC=C2OCC3=CN=CC=C3	EC50 > 1000000 nM	Non binder
T25258	Multidrug resistance protein 1	D09MGF	1-(benzyloxy)-2-(2-phenylethyl)benzene	Investigative	11973811	C21H20O	288.4	C1=CC=C(C=C1)CCC2=CC=CC=C2OCC3=CC=CC=C3	EC50 > 1000000 nM	Non binder
T25258	Multidrug resistance protein 1	D0F1TU	TPP+	Investigative	164912	C24H20P+	339.4	C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4	IC50 = 426600 nM	Non binder