TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T83979	Prostacyclin synthase	D04EEU	Dazoxiben	Terminated	53001	C12H12N2O3	232.23	C1=CC(=CC=C1C(=O)O)OCCN2C=CN=C2	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	D09QRO	CGS-13080	Terminated	55390	C13H16N2O2	232.28	C1=CC2=CN=CN2C(=C1)CCCCCC(=O)O	IC50 = 100000 nM	Poor binder
T83979	Prostacyclin synthase	B0P2TF	Dazmegrel	Investigative	53555	C16H17N3O2	283.32	CC1=C(C2=CC=CC=C2N1CCC(=O)O)CN3C=CN=C3	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	B0XP8J	(3-Imidazol-1-ylmethyl-indol-1-yl)-acetic acid	Investigative	13594154	C14H13N3O2	255.27	C1=CC=C2C(=C1)C(=CN2CC(=O)O)CN3C=CN=C3	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	B2FDZ7	4-(2-Imidazol-1-yl-ethoxy)-N,N-dimethyl-benzamide	Investigative	13569197	C14H17N3O2	259.3	CN(C)C(=O)C1=CC=C(C=C1)OCCN2C=CN=C2	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	B3Q2WS	3-(2-Imidazol-1-yl-ethoxy)-benzoic acid	Investigative	13569194	C12H12N2O3	232.23	C1=CC(=CC(=C1)OCCN2C=CN=C2)C(=O)O	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	B3XMH0	4-(2-Imidazol-1-yl-ethoxy)-N-methyl-benzamide	Investigative	13569196	C13H15N3O2	245.28	CNC(=O)C1=CC=C(C=C1)OCCN2C=CN=C2	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	B3XUB2	(Z)-6-[2-(1-Methyl-1-phenoxy-ethyl)-4-pyridin-3-yl-[1,3]dioxan-5-yl]-hex-4-enoic acid	Investigative	44209341	C24H29NO5	411.5	CC(C)(C1OCC(C(O1)C2=CN=CC=C2)C/C=C\\CCC(=O)O)OC3=CC=CC=C3	IC50 = 75000 nM	Poor binder
T83979	Prostacyclin synthase	B47DAB	3-(3-Imidazol-1-ylmethyl-5-methoxy-indol-1-yl)-propionic acid	Investigative	13594159	C16H17N3O3	299.32	COC1=CC2=C(C=C1)N(C=C2CN3C=CN=C3)CCC(=O)O	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	B5GE2U	(Z)-6-{2-[1-(2-Cyano-6-methyl-phenoxy)-1-methyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid	Investigative	44374442	C26H30N2O5	450.5	CC1=C(C(=CC=C1)C#N)OC(C)(C)C2OCC(C(O2)C3=CN=CC=C3)C/C=C\\CCC(=O)O	IC50 = 60000 nM	Poor binder
T83979	Prostacyclin synthase	B63YIV	3-(5-Chloro-3-imidazol-1-ylmethyl-indol-1-yl)-propionic acid	Investigative	13594160	C15H14ClN3O2	303.74	C1=CC2=C(C=C1Cl)C(=CN2CCC(=O)O)CN3C=CN=C3	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	B6C5UA	(Z)-6-{2-[1-(4-Methoxy-phenoxy)-1-methyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid	Investigative	44374508	C25H31NO6	441.5	CC(C)(C1OCC(C(O1)C2=CN=CC=C2)C/C=C\\CCC(=O)O)OC3=CC=C(C=C3)OC	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	B6UCH2	2-Imidazol-1-ylmethyl-3-methyl-benzo[b]thiophene-6-carboxylic acid	Investigative	13663096	C14H12N2O2S	272.32	CC1=C(SC2=C1C=CC(=C2)C(=O)O)CN3C=CN=C3	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	B7GP1L	3-(5-Bromo-3-imidazol-1-ylmethyl-indol-1-yl)-propionic acid	Investigative	13594161	C15H14BrN3O2	348.19	C1=CC2=C(C=C1Br)C(=CN2CCC(=O)O)CN3C=CN=C3	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	B81ARZ	3-(3-Imidazol-1-ylmethyl-6-trifluoromethyl-indol-1-yl)-propionic acid	Investigative	13594163	C16H14F3N3O2	337.3	C1=CC2=C(C=C1C(F)(F)F)N(C=C2CN3C=CN=C3)CCC(=O)O	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	B8FR6N	2-Imidazol-1-ylmethyl-benzo[b]thiophene-5-carboxylic acid	Investigative	13663093	C13H10N2O2S	258.3	C1=CC2=C(C=C1C(=O)O)C=C(S2)CN3C=CN=C3	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	B8GQ1X	(Z)-6-{2-[1-Methyl-1-(2-methylsulfanyl-phenoxy)-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid	Investigative	44374965	C25H31NO5S	457.6	CC(C)(C1OCC(C(O1)C2=CN=CC=C2)C/C=C\\CCC(=O)O)OC3=CC=CC=C3SC	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	B8JAU9	(Z)-6-{2-[1-(2-Hydroxy-phenoxy)-1-methyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid	Investigative	44209485	C24H29NO6	427.5	CC(C)(C1OCC(C(O1)C2=CN=CC=C2)C/C=C\\CCC(=O)O)OC3=CC=CC=C3O	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BA2R7D	2-Imidazol-1-ylmethyl-3-methyl-benzo[b]thiophene-5-carboxylic acid	Investigative	13663094	C14H12N2O2S	272.32	CC1=C(SC2=C1C=C(C=C2)C(=O)O)CN3C=CN=C3	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BAFV53	3-(2-Cyclopropyl-3-imidazol-1-ylmethyl-indol-1-yl)-propionic acid	Investigative	44343361	C18H19N3O2	309.4	C1CC1C2=C(C3=CC=CC=C3N2CCC(=O)O)CN4C=CN=C4	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BE6NI0	2-(2-Imidazol-1-yl-ethoxy)-benzoic acid ethyl ester	Investigative	13569173	C14H16N2O3	260.29	CCOC(=O)C1=CC=CC=C1OCCN2C=CN=C2	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BFD9Z4	3-Chloro-2-imidazol-1-ylmethyl-benzofuran-5-carboxylic acid	Investigative	13663091	C13H9ClN2O3	276.67	C1=CC2=C(C=C1C(=O)O)C(=C(O2)CN3C=CN=C3)Cl	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BHAZ58	(Z)-6-{2-[1-(2-Methoxy-phenoxy)-1-methyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid	Investigative	44374966	C25H31NO6	441.5	CC(C)(C1OCC(C(O1)C2=CN=CC=C2)C/C=C\\CCC(=O)O)OC3=CC=CC=C3OC	IC50 = 51000 nM	Poor binder
T83979	Prostacyclin synthase	BHEY19	Isbogrel	Investigative	5284442	C18H19NO2	281.3	C1=CC=C(C=C1)/C(=C\\CCCCC(=O)O)/C2=CN=CC=C2	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BK6AL4	3-(5-Dimethylamino-3-imidazol-1-ylmethyl-indol-1-yl)-propionic acid	Investigative	13594162	C17H20N4O2	312.37	CN(C)C1=CC2=C(C=C1)N(C=C2CN3C=CN=C3)CCC(=O)O	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BK89UO	3-[3-(Imidazol-1-ylmethyl)indol-1-yl]propanoic acid	Investigative	13594155	C15H15N3O2	269.3	C1=CC=C2C(=C1)C(=CN2CCC(=O)O)CN3C=CN=C3	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BL30MV	3-(3-Imidazol-1-ylmethyl-2-isopropyl-indol-1-yl)-propionic acid	Investigative	13594156	C18H21N3O2	311.4	CC(C)C1=C(C2=CC=CC=C2N1CCC(=O)O)CN3C=CN=C3	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BN7EA6	(Z)-6-[2-(2-Cyano-phenyl)-4-pyridin-3-yl-[1,3]dioxan-5-yl]-hex-4-enoic acid	Investigative	44374700	C22H22N2O4	378.4	C1C(C(OC(O1)C2=CC=CC=C2C#N)C3=CN=CC=C3)C/C=C\\CCC(=O)O	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BNL9U1	[2-(2-Imidazol-1-yl-ethoxy)-phenyl]-acetic acid	Investigative	13569189	C13H14N2O3	246.26	C1=CC=C(C(=C1)CC(=O)O)OCCN2C=CN=C2	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BNOE83	[4-(2-Imidazol-1-yl-ethoxy)-phenoxy]-acetic acid	Investigative	13569191	C13H14N2O4	262.26	C1=CC(=CC=C1OCCN2C=CN=C2)OCC(=O)O	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BNZM39	3-(3-Imidazol-1-ylmethyl-5-methyl-indol-1-yl)-propionic acid	Investigative	13594158	C16H17N3O2	283.32	CC1=CC2=C(C=C1)N(C=C2CN3C=CN=C3)CCC(=O)O	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BORW68	N-(3',4'-Dichloro[1,1'-biphenyl]-4-yl)-4-hydroxy-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide	Investigative	54728414	C21H14Cl2N2O4S	461.3	C1=CC=C2C(=C1)C(=C(NS2(=O)=O)C(=O)NC3=CC=C(C=C3)C4=CC(=C(C=C4)Cl)Cl)O	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BOY64L	3-Chloro-2-imidazol-1-ylmethyl-benzo[b]thiophene-6-carboxylic acid	Investigative	13663097	C13H9ClN2O2S	292.74	C1=CC2=C(C=C1C(=O)O)SC(=C2Cl)CN3C=CN=C3	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BSFI48	2-{1-[5-((Z)-5-Carboxy-pent-2-enyl)-4-pyridin-3-yl-[1,3]dioxan-2-yl]-1-methyl-ethoxy}-benzoic acid methyl ester	Investigative	44374752	C26H31NO7	469.5	CC(C)(C1OCC(C(O1)C2=CN=CC=C2)C/C=C\\CCC(=O)O)OC3=CC=CC=C3C(=O)OC	IC50 = 73000 nM	Poor binder
T83979	Prostacyclin synthase	BV3R2T	3-(3-Imidazol-1-ylmethyl-2-methyl-indol-1-yl)-acrylic acid	Investigative	13094289	C16H15N3O2	281.31	CC1=C(C2=CC=CC=C2N1/C=C/C(=O)O)CN3C=CN=C3	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BW6I1V	(Z)-6-[2-(4-Cyano-phenyl)-4-pyridin-3-yl-[1,3]dioxan-5-yl]-hex-4-enoic acid	Investigative	44209342	C22H22N2O4	378.4	C1C(C(OC(O1)C2=CC=C(C=C2)C#N)C3=CN=CC=C3)C/C=C\\CCC(=O)O	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	BYR94U	(Z)-6-{2-[1-(2-Cyano-5-methyl-phenoxy)-1-methyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid	Investigative	44374930	C26H30N2O5	450.5	CC1=CC(=C(C=C1)C#N)OC(C)(C)C2OCC(C(O2)C3=CN=CC=C3)C/C=C\\CCC(=O)O	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	D01CGR	3-Imidazol-1-ylmethyl-2-isopropyl-1H-indole	Investigative	194468	C15H17N3	239.32	CC(C)C1=C(C2=CC=CC=C2N1)CN3C=CN=C3	IC50 ~ 100000 nM	Poor binder
T83979	Prostacyclin synthase	D0Y1YZ	4-(2-Imidazol-1-yl-ethoxy)-benzamide	Investigative	13569177	C12H13N3O2	231.25	C1=CC(=CC=C1C(=O)N)OCCN2C=CN=C2	IC50 ~ 100000 nM	Poor binder