TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T33969	ATP-binding cassette transporter B11	D02FCQ	Protokylol Hydrochloride	Approved	8699	C18H22ClNO5	367.8	CC(CC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)O)O.Cl	IC50 > 982300 nM	Non binder
T33969	ATP-binding cassette transporter B11	D02OZE	Digoxin	Approved	2724385	C41H64O14	780.9	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O	IC50 = 264100 nM	Non binder
T33969	ATP-binding cassette transporter B11	D03DAP	Flecainide	Approved	3356	C17H20F6N2O3	414.34	C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F	IC50 = 217600 nM	Non binder
T33969	ATP-binding cassette transporter B11	D04KTZ	Cloxacillin	Approved	6098	C19H18ClN3O5S	435.9	CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O	IC50 = 219700 nM	Non binder
T33969	ATP-binding cassette transporter B11	D04QLR	Dyclonine	Approved	3180	C18H27NO2	289.4	CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2	IC50 = 275400 nM	Non binder
T33969	ATP-binding cassette transporter B11	D05EPM	Ethotoin	Approved	3292	C11H12N2O2	204.22	CCN1C(=O)C(NC1=O)C2=CC=CC=C2	IC50 > 791900 nM	Non binder
T33969	ATP-binding cassette transporter B11	D07BSQ	Progesterone	Approved	5994	C21H30O2	314.5	CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	IC50 = 224600 nM	Non binder
T33969	ATP-binding cassette transporter B11	D08HQK	Tetracaine	Approved	5411	C15H24N2O2	264.36	CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C	IC50 = 512900 nM	Non binder
T33969	ATP-binding cassette transporter B11	D08QCJ	Thiabendazole	Approved	5430	C10H7N3S	201.25	C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3	IC50 = 560000 nM	Non binder
T33969	ATP-binding cassette transporter B11	D09FJB	Tolazamide	Approved	5503	C14H21N3O3S	311.4	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2	IC50 = 285700 nM	Non binder
T33969	ATP-binding cassette transporter B11	D09RHQ	Ropivacaine	Approved	175805	C17H26N2O	274.4	CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C	IC50 = 646400 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0A1PX	Flurbiprofen	Approved	3394	C15H13FO2	244.26	CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O	IC50 = 724700 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0A8XN	Labetalol	Approved	3869	C19H24N2O3	328.4	CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O	IC50 = 649100 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0C0SK	Pyrimethamine	Approved	4993	C12H13ClN4	248.71	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	IC50 = 200100 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0E8CI	Triprolidine	Approved	5282443	C19H22N2	278.4	CC1=CC=C(C=C1)/C(=C\\CN2CCCC2)/C3=CC=CC=N3	IC50 = 290800 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0FA2O	Trioxsalen	Approved	5585	C14H12O3	228.24	CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C	IC50 > 525100 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0FX2Q	Rifamycin	Approved	6324616	C37H47NO12	697.8	C[C@H]1/C=C/C=C(\\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C	IC50 = 206500 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0H2SY	Oxybuprocaine	Approved	4633	C17H28N2O3	308.4	CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N	IC50 = 309100 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0H4JM	Yohimbine	Approved	8969	C21H26N2O3	354.4	COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O	IC50 = 254000 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0I8FI	Isoproterenol	Approved	3779	C11H17NO3	211.26	CC(C)NCC(C1=CC(=C(C=C1)O)O)O	IC50 > 986200 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0J4GO	Dichlorphenamide	Approved	3038	C6H6Cl2N2O4S2	305.2	C1=C(C=C(C(=C1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N	IC50 > 919100 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0L4HY	Guanabenz	Approved	5702063	C8H8Cl2N4	231.08	C1=CC(=C(C(=C1)Cl)/C=N/N=C(N)N)Cl	IC50 = 343700 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0MP5H	Debrisoquin	Approved	2966	C10H13N3	175.23	C1CN(CC2=CC=CC=C21)C(=N)N	IC50 > 951800 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0P9AC	Phenelzine	Approved	3675	C8H12N2	136.19	C1=CC=C(C=C1)CCNN	IC50 > 897200 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0Q2AT	Flucloxacillin	Approved	21319	C19H17ClFN3O5S	453.9	CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O	IC50 = 208600 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0Q9JT	Metyrapone	Approved	4174	C14H14N2O	226.27	CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2	IC50 = 229000 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0W6DY	Diphenylpyraline	Approved	3103	C19H23NO	281.4	CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3	IC50 = 508800 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0YG7M	Ketotifen	Approved	3827	C19H19NOS	309.4	CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1	IC50 > 428600 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0U2CV	Trapidil	Phase 4	5531	C10H15N5	205.26	CCN(CC)C1=CC(=NC2=NC=NN12)C	IC50 = 627800 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0Y4DY	Xylometazoline	Phase 4	5709	C16H24N2	244.37	CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C	IC50 > 796100 nM	Non binder
T33969	ATP-binding cassette transporter B11	D01LXD	Semagacestat	Phase 3	9843750	C19H27N3O4	361.4	C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O	IC50 = 471900 nM	Non binder
T33969	ATP-binding cassette transporter B11	D05JET	Remacemide	Phase 3	60511	C17H20N2O	268.35	CC(CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)CN	IC50 = 288100 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0FA3O	Hydrocortisone	Phase 3	5754	C21H30O5	362.5	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O	IC50 = 251700 nM	Non binder
T33969	ATP-binding cassette transporter B11	D09CKU	PMID26394986-Compound-44	Patented	65064	C22H18O11	458.4	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O	IC50 = 214000 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0O8OB	Isoxsuprine	Withdrawn from market	3783	C18H23NO3	301.4	.	IC50 = 572500 nM	Non binder
T33969	ATP-binding cassette transporter B11	D08DKA	Levcromakalim	Discontinued in Preregistration	93504	C16H18N2O3	286.33	CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C	IC50 = 353300 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0FX4J	Telenzepine	Discontinued in Preregistration	5387	C19H22N4O2S	370.5	CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C	IC50 = 315300 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0Y0GG	Epanolol	Discontinued in Preregistration	72014	C20H23N3O4	369.4	C1=CC=C(C(=C1)C#N)OCC(CNCCNC(=O)CC2=CC=C(C=C2)O)O	IC50 = 244400 nM	Non binder
T33969	ATP-binding cassette transporter B11	D0F7TV	Torbafylline	Terminated	65888	C16H26N4O4	338.4	CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O	IC50 = 304900 nM	Non binder
T33969	ATP-binding cassette transporter B11	B07PGI	4H-1-Benzopyran-2-carboxylic acid, 5-(2-hydroxypropoxy)-4-oxo-8-propyl-	Investigative	121899	C16H18O6	306.31	CCCC1=C2C(=C(C=C1)OCC(C)O)C(=O)C=C(O2)C(=O)O	IC50 = 270600 nM	Non binder
T33969	ATP-binding cassette transporter B11	B0T6ZV	9alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione	Investigative	5702125	C21H27FO6	394.4	C[C@]12C[C@@H]([C@]3(C(C1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O	IC50 = 235600 nM	Non binder
T33969	ATP-binding cassette transporter B11	B0VT1F	Cinchophen	Investigative	8593	C16H11NO2	249.26	C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O	IC50 = 695300 nM	Non binder
T33969	ATP-binding cassette transporter B11	B1M5AR	Nylidrin	Investigative	4567	C19H25NO2	299.4	CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O	IC50 = 280000 nM	Non binder
T33969	ATP-binding cassette transporter B11	B2BM3Y	Mesalamine	Investigative	4075	C7H7NO3	153.14	C1=CC(=C(C=C1N)C(=O)O)O	IC50 = 381000 nM	Non binder
T33969	ATP-binding cassette transporter B11	B2US6K	6-Chloro-4-oxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid	Investigative	150640	C17H12ClNO6	361.7	CCCC1=C2C(=CC3=C1N=C(C=C3Cl)C(=O)O)C(=O)C=C(O2)C(=O)O	IC50 > 892200 nM	Non binder
T33969	ATP-binding cassette transporter B11	B30EBT	Dibenzothiophene	Investigative	3023	C12H8S	184.26	C1=CC=C2C(=C1)C3=CC=CC=C3S2	IC50 = 387900 nM	Non binder
T33969	ATP-binding cassette transporter B11	B38UGN	3-[[6-(3-Carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol	Investigative	49799987	C27H31I6N3O11	1335	CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I	IC50 > 969900 nM	Non binder
T33969	ATP-binding cassette transporter B11	B3QSG2	2-Amino-N-[(2S,3S,4R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide	Investigative	137658626	C22H29N7O5	471.5	CN(C)C1=NC=NC2=C1N=CN2C3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)N)O	IC50 > 787100 nM	Non binder
T33969	ATP-binding cassette transporter B11	B3S2YL	Ethopabate	Investigative	6034	C12H15NO4	237.25	CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)OC	IC50 = 478500 nM	Non binder
T33969	ATP-binding cassette transporter B11	B6D8FU	6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol	Investigative	2215	C17H17NO2	267.32	CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O	IC50 = 390900 nM	Non binder
T33969	ATP-binding cassette transporter B11	B7K2HQ	Carbadox	Investigative	135511839	C11H10N4O4	262.22	COC(=O)N/N=C/C1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-]	IC50 > 939800 nM	Non binder
T33969	ATP-binding cassette transporter B11	B7ZS9F	Propantheline bromide	Investigative	9279	C23H30BrNO3	448.4	CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.[Br-]	IC50 = 291300 nM	Non binder
T33969	ATP-binding cassette transporter B11	B8OK1V	Cholan-24-oic acid, 3,7,12-trioxo-, (5beta)-	Investigative	2975	C24H34O5	402.5	CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C	IC50 = 202200 nM	Non binder
T33969	ATP-binding cassette transporter B11	B9JHF3	Picotamide	Investigative	4814	C21H20N4O3	376.4	COC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)C(=O)NCC3=CN=CC=C3	IC50 = 441000 nM	Non binder
T33969	ATP-binding cassette transporter B11	BAX2G1	7-Chloro-4-hydroxy-2-(4-methoxy-2-methylphenyl)-1,2,5,10-tetrahydropyridazino[4,5-b]quinoline-1,10-dione	Investigative	9843028	C19H14ClN3O4	383.8	CC1=C(C=CC(=C1)OC)N2C(=O)C3=C(C(=O)N2)NC4=C(C3=O)C=CC(=C4)Cl	IC50 = 490000 nM	Non binder
T33969	ATP-binding cassette transporter B11	BB94NU	Butacaine	Investigative	2480	C18H30N2O2	306.4	CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)N	IC50 = 487500 nM	Non binder
T33969	ATP-binding cassette transporter B11	BD01AE	(3R,4S,5R,6R,7R,9R,11R,12S,13S,14R)-6-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione	Investigative	66577477	C37H67NO13	733.9	CC[C@@H]1[C@@]([C@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	IC50 > 983100 nM	Non binder
T33969	ATP-binding cassette transporter B11	BDHU70	4-Oxo-10-propyl-6-(trifluoromethyl)pyrano[3,2-g]quinoline-2,8-dicarboxylic acid	Investigative	14091427	C18H12F3NO6	395.3	CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=CC(=N2)C(=O)O)C(F)(F)F	IC50 = 364700 nM	Non binder
T33969	ATP-binding cassette transporter B11	BIYZ68	AR-C155858	Investigative	10226546	C21H27N5O5S	461.5	CC1=C(C(=NN1)C)CC2=C(C3=C(S2)N(C(=O)N(C3=O)C)CC(C)C)C(=O)N4C[C@@H](CO4)O	IC50 = 247800 nM	Non binder
T33969	ATP-binding cassette transporter B11	BJT2S0	Zimeldine	Investigative	5365247	C16H17BrN2	317.22	CN(C)C/C=C(/C1=CC=C(C=C1)Br)\\C2=CN=CC=C2	IC50 = 229700 nM	Non binder
T33969	ATP-binding cassette transporter B11	BJY45A	Bentiromide	Investigative	6957673	C23H20N2O5	404.4	C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)C(=O)O	IC50 = 234800 nM	Non binder
T33969	ATP-binding cassette transporter B11	BO93HP	Fenclofenac	Investigative	65394	C14H10Cl2O3	297.1	C1=CC=C(C(=C1)CC(=O)O)OC2=C(C=C(C=C2)Cl)Cl	IC50 = 235700 nM	Non binder
T33969	ATP-binding cassette transporter B11	BPD79O	4-({3-[7-(3,3-Dimethyl-2-oxobutyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]propyl}amino)benzonitrile	Investigative	9808484	C22H32N4O2	384.5	CC(C)(C)C(=O)CN1CC2CN(CC(C1)O2)CCCNC3=CC=C(C=C3)C#N	IC50 = 513600 nM	Non binder
T33969	ATP-binding cassette transporter B11	BQ5LJ1	Cysteamine	Investigative	6058	C2H7NS	77.15	C(CS)N	IC50 = 331000 nM	Non binder
T33969	ATP-binding cassette transporter B11	BQO35F	(S)-2-[[6-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydro-3-methyl-1-(1-methylethyl)-2,4-dioxothieno[2,3-d]pyrimidin-5-yl]carbonyl]-4-isoxazolidinol	Investigative	10204073	C20H25N5O5S	447.5	CC1=C(C(=NN1)C)CC2=C(C3=C(S2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4C[C@@H](CO4)O	IC50 = 703000 nM	Non binder
T33969	ATP-binding cassette transporter B11	BQVR45	Salcaprozic acid	Investigative	158789	C15H21NO4	279.33	C1=CC=C(C(=C1)C(=O)NCCCCCCCC(=O)O)O	IC50 > 750900 nM	Non binder
T33969	ATP-binding cassette transporter B11	BRD8W3	5-Chloro-8-hydroxyquinoline	Investigative	2817	C9H6ClNO	179.6	C1=CC2=C(C=CC(=C2N=C1)O)Cl	IC50 = 356700 nM	Non binder
T33969	ATP-binding cassette transporter B11	BUE9Q8	Procromil	Investigative	3085184	C17H18O4	286.32	CCCC1=C2CCCCC2=CC3=C1OC(=CC3=O)C(=O)O	IC50 = 606000 nM	Non binder
T33969	ATP-binding cassette transporter B11	BUW7C5	(Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid	Investigative	59194184	C21H36O5	368.5	CCCCCC(C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\\CCCC(=O)O)O)O)O	IC50 = 328700 nM	Non binder
T33969	ATP-binding cassette transporter B11	BV7F9K	Sulpiride	Investigative	5355	C15H23N3O4S	341.4	CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC	IC50 = 276200 nM	Non binder
T33969	ATP-binding cassette transporter B11	BVJT21	N-[[(5S)-3-[4-(4-Bromoimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide	Investigative	9800927	C15H14BrFN4O3	397.2	CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3C=C(N=C3)Br)F	IC50 = 349200 nM	Non binder
T33969	ATP-binding cassette transporter B11	BWY4F2	Hexylcaine hydrochloride	Investigative	102426	C16H24ClNO2	297.82	CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2.Cl	IC50 = 505700 nM	Non binder
T33969	ATP-binding cassette transporter B11	D09NNS	Piretanide	Investigative	4849	C17H18N2O5S	362.4	C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3	IC50 > 790600 nM	Non binder