TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T33489	Steryl-sulfatase	D00ZFP	Estrone	Approved	5870	C18H22O2	270.4	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O	IC50 = 51000 nM	Poor binder
T33489	Steryl-sulfatase	D08QMX	Estradiol	Approved	5757	C18H24O2	272.4	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O	IC50 = 84000 nM	Poor binder
T33489	Steryl-sulfatase	B03LKE	2,2-Dimethyl-propionic acid (1R,3R,5S)-8-(4-chloro-benzenesulfonylaminocarbonyl)-8-aza-bicyclo[3.2.1]oct-3-yl ester	Investigative	44389144	C19H25ClN2O5S	428.9	CC(C)(C)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	B0OGN2	6-(4-Cyclohexylthiosemicarbazono)methyl-2-methoxy-3-methyl-benzoic acid	Investigative	16748723	C17H23N3O3S	349.4	CC1=C(C(=C(C=C1)/C=N/NC(=S)NC2CCCCC2)C(=O)O)OC	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	B0VUY6	2-Adamantan-1-yl-4-oxo-4H-chromene-6-carboxylic acid methyl ester	Investigative	11473200	C21H22O4	338.4	COC(=O)C1=CC2=C(C=C1)OC(=CC2=O)C34CC5CC(C3)CC(C5)C4	Ki ~ 50000 nM	Poor binder
T33489	Steryl-sulfatase	B10LKE	1,9,11,14-Tetrahydroxy-7-methoxy-10-methyl-8,13-dioxo-3-(phenoxycarbonyl-hydrazonomethyl)-5,6,8,13-tetrahydro-benzo[a]naphthacene-2-carboxylic acid	Investigative	136100379	C33H24N2O11	624.5	CC1=C(C=C2C(=C1O)C(=O)C3=C(C4=C(C5=C(C(=C(C=C5CC4)/C=N/NC(=O)OC6=CC=CC=C6)C(=O)O)O)C(=C3C2=O)O)OC)O	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	B19ZJD	(8R,9S,13S,14S)-3-[Difluoro(prop-2-enylsulfonyl)methyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one	Investigative	127049551	C22H26F2O3S	408.5	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)C(F)(F)S(=O)(=O)CC=C	Ki = 82000 nM	Poor binder
T33489	Steryl-sulfatase	B1IB2N	O-[[(8R,9S,13S,14S)-13-Methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]] carbamothioate	Investigative	53322427	C19H23NO2S	329.5	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=S)N	IC50 ~ 50000 nM	Poor binder
T33489	Steryl-sulfatase	B1LWD7	4-(2-Chloro-benzenesulfonylaminocarbonyl)-piperidine-1-carboxylic acid tert-butyl ester	Investigative	44389189	C17H23ClN2O5S	402.9	CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NS(=O)(=O)C2=CC=CC=C2Cl	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	B1U7LE	[(8R,9S,13S,14S)-13-Methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 2-aminoacetate	Investigative	53326448	C20H25NO3	327.4	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)CN	IC50 ~ 50000 nM	Poor binder
T33489	Steryl-sulfatase	B2WEY3	3-(4-Butylthiosemicarbazono)methyl-benzoic acid	Investigative	16748616	C13H17N3O2S	279.36	CCCCNC(=S)N/N=C/C1=CC(=CC=C1)C(=O)O	IC50 = 58000 nM	Poor binder
T33489	Steryl-sulfatase	B3JFB8	Phenyl-acetic acid 1-(4-chloro-benzenesulfonylaminocarbonyl)-piperidin-4-yl ester	Investigative	44347261	C20H21ClN2O5S	436.9	C1CN(CCC1OC(=O)CC2=CC=CC=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	B4BUO2	Difluoro-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]methanesulfonic acid	Investigative	10739143	C19H22F2O4S	384.4	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)C(F)(F)S(=O)(=O)O	Ki = 57000 nM	Poor binder
T33489	Steryl-sulfatase	B4FQ1S	3-[(E)-(Carbamothioylhydrazinylidene)methyl]-1,9,11,14-tetrahydroxy-7-methoxy-10-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid	Investigative	136100383	C27H21N3O9S	563.5	CC1=C(C=C2C(=C1O)C(=O)C3=C(C4=C(C5=C(C(=C(C=C5CC4)/C=N/NC(=S)N)C(=O)O)O)C(=C3C2=O)O)OC)O	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	B4XDV5	3-[(E)-(Dodecylcarbamothioylhydrazinylidene)methyl]-1,9,11,14-tetrahydroxy-7-methoxy-10-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid	Investigative	136100372	C39H45N3O9S	731.9	CCCCCCCCCCCCNC(=S)N/N=C/C1=C(C(=C2C(=C1)CCC3=C2C(=C4C(=C3OC)C(=O)C5=C(C(=C(C=C5C4=O)O)C)O)O)O)C(=O)O	IC50 = 50000 nM	Poor binder
T33489	Steryl-sulfatase	B65KEY	3-Cyanophenyl sulfamate	Investigative	10420257	C7H6N2O3S	198.2	C1=CC(=CC(=C1)OS(=O)(=O)N)C#N	IC50 = 190500 nM	Poor binder
T33489	Steryl-sulfatase	B6F0CA	4-(4-Chloro-benzenesulfonylaminocarbonyl)-piperazine-1-carboxylic acid benzyl ester	Investigative	44389145	C19H20ClN3O5S	437.9	C1CN(CCN1C(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	B7N9FA	(8R,9S,13S,14S,17R)-17-Benzyl-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-4-carbaldehyde	Investigative	56670232	C26H30O3	390.5	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC4=CC=CC=C4)O)CCC5=C3C=CC(=C5C=O)O	Ki = 85000 nM	Poor binder
T33489	Steryl-sulfatase	B8P0OD	4H-1-Benzopyran-4-one, 7-[(aminosulfonyl)oxy]-2-propyl-	Investigative	11087274	C12H13NO5S	283.3	CCCC1=CC(=O)C2=C(O1)C=C(C=C2)OS(=O)(=O)N	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	B8QWI4	7-[Methoxy-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]phosphinothioyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one	Investigative	122188105	C25H21O7PS	496.5	COP(=S)(OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)OC4=CC5=C(C=C4)C6=C(CCC6)C(=O)O5	IC50 = 75020 nM	Poor binder
T33489	Steryl-sulfatase	B8ZW3K	1,9,11,14-Tetrahydroxy-7-methoxy-10-methyl-8,13-dioxo-3-[(E)-(phenylcarbamoylhydrazinylidene)methyl]-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid	Investigative	136100386	C33H25N3O10	623.6	CC1=C(C=C2C(=C1O)C(=O)C3=C(C4=C(C5=C(C(=C(C=C5CC4)/C=N/NC(=O)NC6=CC=CC=C6)C(=O)O)O)C(=C3C2=O)O)OC)O	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	B94NVY	17-Oxoestra-1,3,5(10)-triene-3-methanesulfonic acid	Investigative	10360393	C19H24O4S	348.5	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)CS(=O)(=O)O	Ki = 140000 nM	Poor binder
T33489	Steryl-sulfatase	B9YB0T	(8R,9S,13S,14S)-13-Methyl-2-methylsulfanyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3-sulfonic acid amide	Investigative	11246448	C19H25NO4S2	395.5	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)SC)OS(=O)(=O)N	IC50 = 120000 nM	Poor binder
T33489	Steryl-sulfatase	BACK15	Sulfamic acid 3-iodophenyl ester	Investigative	10108748	C6H6INO3S	299.09	C1=CC(=CC(=C1)I)OS(=O)(=O)N	IC50 = 120000 nM	Poor binder
T33489	Steryl-sulfatase	BAF7I5	[(8R,9S,13S,14S)-13-Methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] N-benzylcarbamate	Investigative	53318824	C26H29NO3	403.5	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)NCC5=CC=CC=C5	IC50 ~ 50000 nM	Poor binder
T33489	Steryl-sulfatase	BB5JN2	2-[1-(4-Cyclohexylthiosemicarbazono)ethyl]-benzoic acid	Investigative	16748503	C16H21N3O2S	319.4	C/C(=N\\NC(=S)NC1CCCCC1)/C2=CC=CC=C2C(=O)O	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	BBV03L	7-[Amino-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]phosphinothioyl]oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one	Investigative	122188147	C24H20NO6PS	481.5	C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OP(=S)(N)OC4=CC5=C(C=C4)C6=C(CCC6)C(=O)O5	IC50 = 74330 nM	Poor binder
T33489	Steryl-sulfatase	BCL2E7	3-[Amino-[(6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]phosphinothioyl]oxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-6-one	Investigative	122188149	C28H28NO6PS	537.6	C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OP(=S)(N)OC4=CC5=C(C=C4)C6=C(CCCCC6)C(=O)O5	IC50 = 88830 nM	Poor binder
T33489	Steryl-sulfatase	BCYA27	(8R,9S,13S,14S)-2-Bromo-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-4-carbaldehyde	Investigative	56658532	C19H21BrO3	377.3	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=C(C=C34)Br)O)C=O	IC50 = 145000 nM	Poor binder
T33489	Steryl-sulfatase	BD37NH	2-(4-Cyclooctylthiosemicarbazono)methyl-benzoic acid	Investigative	16748615	C17H23N3O2S	333.5	C1CCCC(CCC1)NC(=S)N/N=C/C2=CC=CC=C2C(=O)O	IC50 = 60000 nM	Poor binder
T33489	Steryl-sulfatase	BDOJ95	(2-Adamantan-1-yl-4-oxo-4H-chromen-6-yl)-acetic acid	Investigative	11461877	C21H22O4	338.4	C1C2CC3CC1CC(C2)(C3)C4=CC(=O)C5=C(O4)C=CC(=C5)CC(=O)O	Ki ~ 50000 nM	Poor binder
T33489	Steryl-sulfatase	BE46PS	6-(4-Cyclohexylthiosemicarbazono)methyl-2,3-dimethoxy-benzoic acid	Investigative	9747438	C17H23N3O4S	365.4	COC1=C(C(=C(C=C1)/C=N/NC(=S)NC2CCCCC2)C(=O)O)OC	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	BE6Y2R	4-(3-Chloro-benzenesulfonylaminocarbonyl)-piperidine-1-carboxylic acid tert-butyl ester	Investigative	44389195	C17H23ClN2O5S	402.9	CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NS(=O)(=O)C2=CC(=CC=C2)Cl	IC50 = 71000 nM	Poor binder
T33489	Steryl-sulfatase	BFDI35	Phenyl-acetic acid (1R,3R,5S)-8-(4-fluoro-benzenesulfonylaminocarbonyl)-8-aza-bicyclo[3.2.1]oct-3-yl ester	Investigative	44347508	C22H23FN2O5S	446.5	C1C[C@H]2CC(C[C@@H]1N2C(=O)NS(=O)(=O)C3=CC=C(C=C3)F)OC(=O)CC4=CC=CC=C4	IC50 = 50000 nM	Poor binder
T33489	Steryl-sulfatase	BHK8C7	3-(4-Cyclohexylsemicarbazono)methyl-benzoic acid	Investigative	16748502	C15H19N3O3	289.33	C1CCC(CC1)NC(=O)N/N=C/C2=CC(=CC=C2)C(=O)O	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	BJC49Z	2-(4-Cyclohexylthiosemicarbazono)methyl-benzeneboronic acid	Investigative	16748506	C14H20BN3O2S	305.2	B(C1=CC=CC=C1/C=N/NC(=S)NC2CCCCC2)(O)O	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	BJW9U5	[(8R,9S,13S,14S)-13-Methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] carbamate	Investigative	53318064	C19H23NO3	313.4	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)N	IC50 ~ 50000 nM	Poor binder
T33489	Steryl-sulfatase	BLXT31	[(8R,9S,13S,14S)-13-Methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] cyanate	Investigative	53326333	C19H21NO2	295.4	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC#N	IC50 ~ 50000 nM	Poor binder
T33489	Steryl-sulfatase	BM24WI	3-(1H-Tetrazole-5-ylmethyl)estra-1,3,5(10)-triene-17-one	Investigative	53322482	C20H24N4O	336.4	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)CC5=NNN=N5	Ki = 72700 nM	Poor binder
T33489	Steryl-sulfatase	BM4IC0	[(8R,9S,13S,14S)-13-Methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate	Investigative	53320271	C25H33NO5	427.5	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)CNC(=O)OC(C)(C)C	IC50 ~ 50000 nM	Poor binder
T33489	Steryl-sulfatase	BMCV52	[(1R,5S)-8-(Benzenesulfonylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl] 2-phenylacetate	Investigative	44347439	C22H24N2O5S	428.5	C1C[C@H]2CC(C[C@@H]1N2C(=O)NS(=O)(=O)C3=CC=CC=C3)OC(=O)CC4=CC=CC=C4	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	BMO3S2	2-Adamantan-1-yl-4-oxo-4H-thiochromene-6-carbonitrile	Investigative	11198029	C20H19NOS	321.4	C1C2CC3CC1CC(C2)(C3)C4=CC(=O)C5=C(S4)C=CC(=C5)C#N	Ki ~ 50000 nM	Poor binder
T33489	Steryl-sulfatase	BQ6T7Z	3-Nitrophenyl Sulfamate	Investigative	10059221	C6H6N2O5S	218.19	C1=CC(=CC(=C1)OS(=O)(=O)N)[N+](=O)[O-]	IC50 = 120000 nM	Poor binder
T33489	Steryl-sulfatase	BR74LY	Estrone acetate	Investigative	92846	C20H24O3	312.4	CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C	IC50 ~ 50000 nM	Poor binder
T33489	Steryl-sulfatase	BSEI68	1-(2,3,4,5,6-Pentafluorobenzyl)-2-[4-(sulfooxy)phenyl]-3-methyl-4-(trifluoromethyl)-1H-indol-6-ol 6-sulfate	Investigative	44277007	C23H13F8NO8S2	647.5	CC1=C(N(C2=CC(=CC(=C12)C(F)(F)F)OS(=O)(=O)O)CC3=C(C(=C(C(=C3F)F)F)F)F)C4=CC=C(C=C4)OS(=O)(=O)O	IC50 = 80000 nM	Poor binder
T33489	Steryl-sulfatase	BT58LM	3-[Amino-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]phosphinothioyl]oxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one	Investigative	122188148	C26H24NO6PS	509.5	C1CCC2=C(C1)C3=C(C=C(C=C3)OP(=S)(N)OC4=CC5=C(C=C4)C6=C(CCCC6)C(=O)O5)OC2=O	IC50 = 109970 nM	Poor binder
T33489	Steryl-sulfatase	BYBF03	2-Adamantan-1-yl-4-oxo-4H-chromene-6-carboxylic acid amide	Investigative	11416049	C20H21NO3	323.4	C1C2CC3CC1CC(C2)(C3)C4=CC(=O)C5=C(O4)C=CC(=C5)C(=O)N	Ki ~ 50000 nM	Poor binder
T33489	Steryl-sulfatase	BZE8M9	2-(4-Cyclopropylthiosemicarbazono)methyl-benzoic acid	Investigative	16748612	C12H13N3O2S	263.32	C1CC1NC(=S)N/N=C/C2=CC=CC=C2C(=O)O	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	BZG4K8	2-(4-Cyclohexylthiosemicarbazono)methyl-6-methoxy-benzoic acid	Investigative	16748721	C16H21N3O3S	335.4	COC1=CC=CC(=C1C(=O)O)/C=N/NC(=S)NC2CCCCC2	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	BZN65W	2-(4-Phenylthiosemicarbazono)methyl-benzoic acid	Investigative	6871072	C15H13N3O2S	299.3	C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CC=C2C(=O)O	IC50 ~ 100000 nM	Poor binder
T33489	Steryl-sulfatase	D04AXP	[3H]estrone-3-sulphate	Investigative	3001028	C18H22O5S	350.4	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O	Ki = 60000 nM	Poor binder