TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T56556	ATP-binding cassette transporter G2	D00YZD	Dolutegravir	Approved	54726191	C20H19F2N3O5	419.4	C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O	IC50 = 67000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	D05LYX	Glibenclamide	Approved	3488	C23H28ClN3O5S	494	COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3	IC50 = 150000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	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 = 125892.54 nM	Poor binder
T56556	ATP-binding cassette transporter G2	D07POC	Erlotinib	Approved	176870	C22H23N3O4	393.4	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	IC50 = 50000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	D0Q0PR	Novobiocin	Approved	54675769	C31H36N2O11	612.6	.	IC50 = 66069.34 nM	Poor binder
T56556	ATP-binding cassette transporter G2	D0R0FE	Verapamil	Approved	2520	C27H38N2O4	454.6	CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC	IC50 ~ 50000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	D0G7UX	Cyclosporin A	Phase 2	5284373	C62H111N11O12	1202.6	CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C	IC50 = 63095.73 nM	Poor binder
T56556	ATP-binding cassette transporter G2	D0J1HB	PF-06840003	Phase 1	23063810	C12H9FN2O2	232.21	C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)F	IC50 = 65400 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B0DY9V	N-(4-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-2-nitrobenzamide	Investigative	20646979	C26H27N3O5	461.5	COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])OC	IC50 = 77600 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B0FLE1	5,7-Dimethoxy-2-[4-[2-(4-nitrophenyl)ethyl]piperazine-1-carbonyl]chromen-4-one	Investigative	127040367	C24H25N3O7	467.5	COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C(=O)N3CCN(CC3)CCC4=CC=C(C=C4)[N+](=O)[O-]	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B0Z2QX	4-[[4-(5,7-Dimethoxy-4-oxochromen-2-yl)piperazin-1-yl]methyl]benzonitrile	Investigative	127042305	C23H23N3O4	405.4	COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)N3CCN(CC3)CC4=CC=C(C=C4)C#N	IC50 = 99700 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B15QKT	2-[4-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinoline	Investigative	71682196	C24H28N2O3	392.5	COC1=C(C=C2CN(CCC2=C1)CCCCOC3=NC4=CC=CC=C4C=C3)OC	EC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B1BA9W	3-(4-Hydroxyphenyl)-N-(4-hydroxystyryl)acrylamide	Investigative	46232495	C17H15NO3	281.3	C1=CC(=CC=C1/C=C/C(=O)N/C=C/C2=CC=C(C=C2)O)O	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B1HI0G	4-Amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)benzamide	Investigative	44451563	C26H29N3O3	431.5	COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N)OC	IC50 = 98200 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B1PQU5	4-Amino-N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]benzamide	Investigative	44451513	C24H25N3O	371.5	C1CN(CC2=CC=CC=C21)CCC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N	IC50 = 77624.71 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B1YR9G	2-Amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)benzamide	Investigative	22004538	C26H29N3O3	431.5	COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4N)OC	IC50 = 85113.8 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B28IQW	2-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]quinoline	Investigative	71682041	C22H24N2O3	364.4	COC1=C(C=C2CN(CCC2=C1)CCOC3=NC4=CC=CC=C4C=C3)OC	EC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B39EAC	5,7-Dimethoxy-2-[4-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperazin-1-yl]chromen-4-one	Investigative	127028356	C23H23F3N2O6S	512.5	COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)N3CCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C(F)(F)F	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B3I0FE	5,7-Dimethoxy-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]chromen-4-one	Investigative	127042802	C22H23N3O6	425.4	COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)N3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]	IC50 = 87800 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B3NDS8	1-(2-Aminophenyl)-3-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)-phenyl)urea	Investigative	44565481	C26H30N4O3	446.5	COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4N)OC	IC50 = 58400 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B6QBE8	4-[[4-[2-[6-Methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-6-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid	Investigative	54583505	C45H47F3N4O11	876.9	COCCOCCOCCOC1=C(C=C2CCN(CC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)C(=O)O)NC(=O)C5=CC6=C(C=C5)N=CC=C6)OC.C(=O)(C(F)(F)F)O	IC50 ~ 50000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B71XSU	N-(4-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-4,5-dimethoxy-2-nitrobenzamide	Investigative	44451888	C28H31N3O7	521.6	COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC)OC	IC50 = 64565.42 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B7DZV2	3-(4-Hydroxyphenyl)-N-(4-hydroxystyryl)-2-methoxypropanamide	Investigative	46232422	C18H19NO4	313.3	COC(CC1=CC=C(C=C1)O)C(=O)N/C=C/C2=CC=C(C=C2)O	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B7NVT2	1,2-Dimethoxy-3-((2-(3-methoxyphenethyl)phenoxy)methyl)benzene	Investigative	24808156	C24H26O4	378.5	COC1=CC=CC(=C1)CCC2=CC=CC=C2OCC3=C(C(=CC=C3)OC)OC	IC50 = 120000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B7XQA4	1,2-Dimethoxy-3-[[2-(2-phenylethyl)phenoxy]methyl]benzene	Investigative	24808155	C23H24O3	348.4	COC1=CC=CC(=C1OC)COC2=CC=CC=C2CCC3=CC=CC=C3	EC50 = 75000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B7ZK2H	3-(4-Hydroxyphenyl)-2-methoxyacrylic acid	Investigative	15965811	C10H10O4	194.18	CO/C(=C\\C1=CC=C(C=C1)O)/C(=O)O	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B9F8TY	4-[[4-[2-[7-Methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-2-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid	Investigative	54587417	C45H47F3N4O11	876.9	COCCOCCOCCOC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)C(=O)O)NC(=O)C5=NC6=CC=CC=C6C=C5)OC.C(=O)(C(F)(F)F)O	IC50 ~ 50000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B9QWM1	2-Amino-N-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)benzamide	Investigative	20646908	C24H25N3O	371.5	C1CN(CC2=CC=CC=C21)CCC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4N	IC50 = 74131.02 nM	Poor binder
T56556	ATP-binding cassette transporter G2	B9TJ7Q	5,7-Dimethoxy-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]chromen-4-one	Investigative	127042922	C23H26N2O5	410.5	COC1=CC=C(C=C1)CN2CCN(CC2)C3=CC(=O)C4=C(O3)C=C(C=C4OC)OC	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BA38YT	1-(4-Aminophenyl)-3-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)-phenyl)urea	Investigative	44565509	C26H30N4O3	446.5	COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)N)OC	IC50 = 74100 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BBC79H	3-[(2-Pyridin-4-ylquinazolin-4-yl)amino]benzoic acid	Investigative	19392346	C20H14N4O2	342.3	C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC=CC(=C4)C(=O)O	IC50 = 60000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BBUE53	2-[4-[(3,4-Difluorophenyl)methyl]piperazin-1-yl]-5,7-dimethoxychromen-4-one	Investigative	127042920	C22H22F2N2O4	416.4	COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)N3CCN(CC3)CC4=CC(=C(C=C4)F)F	IC50 = 66600 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BDVM60	Methyl 4-[[4-(5,7-dimethoxy-4-oxochromen-2-yl)piperazin-1-yl]methyl]benzoate	Investigative	127042304	C24H26N2O6	438.5	COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)N3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BEIN24	4-[[4-[2-[7-Methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-6-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid	Investigative	54586399	C45H47F3N4O11	876.9	COCCOCCOCCOC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)C(=O)O)NC(=O)C5=CC6=C(C=C5)N=CC=C6)OC.C(=O)(C(F)(F)F)O	IC50 ~ 50000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BEJ94F	N-(4-Hydroxyphenethyl)-3-(4-hydroxyphenyl)-2-methoxypropanamide	Investigative	46232494	C18H21NO4	315.4	COC(CC1=CC=C(C=C1)O)C(=O)NCCC2=CC=C(C=C2)O	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BFXW02	1,2-Dimethoxy-4-((2-(3-methoxyphenethyl)phenoxy)methyl)benzene	Investigative	24808157	C24H26O4	378.5	COC1=C(C=C(C=C1)COC2=CC=CC=C2CCC3=CC(=CC=C3)OC)OC	IC50 = 150000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BG7M3W	N-(2-Hydroxy-2-(4-hydroxyphenyl)ethyl)-3-(4-hydroxyphenyl)-2-methoxyacrylamide	Investigative	46232496	C18H19NO5	329.3	CO/C(=C\\C1=CC=C(C=C1)O)/C(=O)NCC(C2=CC=C(C=C2)O)O	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BLUK76	5,7-Dimethoxy-2-[4-[[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]chromen-4-one	Investigative	127028355	C23H23F3N2O4S	480.5	COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)N3CCN(CC3)CC4=CC=C(C=C4)SC(F)(F)F	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BN49VM	4-[3-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]quinoline	Investigative	71682039	C23H26N2O3	378.5	COC1=C(C=C2CN(CCC2=C1)CCCOC3=CC=NC4=CC=CC=C43)OC	EC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BNRG82	5,7-Dimethoxy-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]chromen-4-one	Investigative	127028354	C23H23F3N2O4	448.4	COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)N3CCN(CC3)CC4=CC=C(C=C4)C(F)(F)F	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BPKZ23	2-[5-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentoxy]quinoline	Investigative	71682197	C25H30N2O3	406.5	COC1=C(C=C2CN(CCC2=C1)CCCCCOC3=NC4=CC=CC=C4C=C3)OC	EC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BR18LC	N-(4-(2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-2-nitrobenzamide	Investigative	20646970	C24H23N3O3	401.5	C1CN(CC2=CC=CC=C21)CCC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]	IC50 = 51300 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BR3F9A	3-(4-(Benzyloxy)phenyl)-N-(4-hydroxystyryl)-2-methoxyacrylamide	Investigative	46232539	C25H23NO4	401.5	CO/C(=C\\C1=CC=C(C=C1)OCC2=CC=CC=C2)/C(=O)N/C=C/C3=CC=C(C=C3)O	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BS96UL	2-[3-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]quinoline	Investigative	71682195	C23H26N2O3	378.5	COC1=C(C=C2CN(CCC2=C1)CCCOC3=NC4=CC=CC=C4C=C3)OC	EC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BVM09S	4'-((6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-[1,1'-biphenyl]-4-ol	Investigative	25113688	C24H25NO3	375.5	COC1=C(C=C2CN(CCC2=C1)CC3=CC=C(C=C3)C4=CC=C(C=C4)O)OC	EC50 = 73000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BW9SJ3	5,7-Dimethoxy-2-[4-(2-phenylethyl)piperazin-1-yl]chromen-4-one	Investigative	127042921	C23H26N2O4	394.5	COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)N3CCN(CC3)CCC4=CC=CC=C4	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BWNZ07	5,7-Dimethoxy-2-[4-[(4-nitrophenyl)methyl]piperazine-1-carbonyl]chromen-4-one	Investigative	127040368	C23H23N3O7	453.4	COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BX08KR	6,7-Dimethoxy-2-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-3,4-dihydro-1H-isoquinoline	Investigative	24178402	C25H31NO3	393.5	COC1=CC=CC\\2=C1CCC/C2=C\\CCN3CCC4=CC(=C(C=C4C3)OC)OC	EC50 = 90000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BX6S1C	1-(2-Aminophenyl)-3-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)urea	Investigative	44565482	C24H26N4O	386.5	C1CN(CC2=CC=CC=C21)CCC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4N	IC50 = 74100 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BXQ36A	2-[2-(3,4-Dimethoxyphenyl)ethylamino]-5,7-dimethoxychromen-4-one	Investigative	127028060	C21H23NO6	385.4	COC1=C(C=C(C=C1)CCNC2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BY1EG4	4-[[4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-2-(quinoline-6-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid	Investigative	54580538	C39H35F3N4O8	744.7	COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)C(=O)O)NC(=O)C5=CC6=C(C=C5)N=CC=C6)OC.C(=O)(C(F)(F)F)O	IC50 ~ 100000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BYU8G4	1,2-Dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene	Investigative	24807987	C23H24O3	348.4	COC1=C(C=C(C=C1)COC2=CC=CC=C2CCC3=CC=CC=C3)OC	EC50 = 58000 nM	Poor binder
T56556	ATP-binding cassette transporter G2	BZ43HQ	1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-2-yloxyethanone	Investigative	71682040	C22H22N2O4	378.4	COC1=C(C=C2CN(CCC2=C1)C(=O)COC3=NC4=CC=CC=C4C=C3)OC	EC50 ~ 100000 nM	Poor binder