TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T16117	Nitric-oxide synthase brain	B02GWM	1-[3-(2-Amino-5-chlorophenyl)-3-hydroxypropyl]-3-methylthiourea	Investigative	127047637	C11H16ClN3OS	273.78	CNC(=S)NCCC(C1=C(C=CC(=C1)Cl)N)O	IC50 > 1000000 nM	Non binder
T16117	Nitric-oxide synthase brain	B0WB1G	3-(6-Amino-2,3,4-trimethoxyphenyl)-1-(3-phenylpropanoyl)-4,5-dihydro-1H-pyrazole	Investigative	71724455	C21H25N3O4	383.4	COC1=C(C(=C(C(=C1)N)C2=NN(CC2)C(=O)CCC3=CC=CC=C3)OC)OC	IC50 = 400000 nM	Non binder
T16117	Nitric-oxide synthase brain	B19PWK	(S)-6-Acetimidoylamino-2-(R)-amino-5-fluoro-hexanoic acid	Investigative	11390106	C8H16FN3O2	205.23	CC(=NC[C@H](CC[C@H](C(=O)O)N)F)N	IC50 = 311000 nM	Non binder
T16117	Nitric-oxide synthase brain	B1J0SV	[5-(6-Amino-2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone	Investigative	71724310	C19H21N3O4	355.4	COC1=C(C(=C(C(=C1)N)C2=NN(CC2)C(=O)C3=CC=CC=C3)OC)OC	IC50 = 530000 nM	Non binder
T16117	Nitric-oxide synthase brain	B29SFA	1-[3-(2-Aminophenyl)-3-hydroxypropyl]-3-propylthiourea	Investigative	127048125	C13H21N3OS	267.39	CCCNC(=S)NCCC(C1=CC=CC=C1N)O	IC50 > 1000000 nM	Non binder
T16117	Nitric-oxide synthase brain	B2V4DB	2,4-Diamino-7,8-dihydro-6H-pteridine-5-carbaldehyde	Investigative	44331280	C7H10N6O	194.19	C1CN(C2=C(N=C(N=C2N1)N)N)C=O	IC50 = 300000 nM	Non binder
T16117	Nitric-oxide synthase brain	B4LZ0E	3,5-Dimethylpyrazole-1-carboxamidine	Investigative	97525	C6H10N4	138.17	CC1=CC(=NN1C(=N)N)C	Ki = 350000 nM	Non binder
T16117	Nitric-oxide synthase brain	B4O1YX	2-Methylamino-5,6,7,8-tetrahydro-3H-pteridin-4-one	Investigative	135519036	C7H11N5O	181.2	CNC1=NC2=C(C(=O)N1)NCCN2	IC50 = 650000 nM	Non binder
T16117	Nitric-oxide synthase brain	B6C7VT	(2S)-2-Amino-5-[carbamoyl(methyl)amino]pentanoic acid	Investigative	24787679	C7H15N3O3	189.21	CN(CCC[C@@H](C(=O)O)N)C(=O)N	IC50 = 7900000 nM	Non binder
T16117	Nitric-oxide synthase brain	B6COE8	1-[3-(2-Aminophenyl)-3-hydroxypropyl]-3-methylthiourea	Investigative	127047755	C11H17N3OS	239.34	CNC(=S)NCCC(C1=CC=CC=C1N)O	IC50 > 1000000 nM	Non binder
T16117	Nitric-oxide synthase brain	B6DF5Y	2-Amino-6-(ethoxymethyl)pteridin-4(1H)-one	Investigative	135674618	C9H11N5O2	221.22	CCOCC1=CN=C2C(=N1)C(=O)NC(=N2)N	IC50 > 500000 nM	Non binder
T16117	Nitric-oxide synthase brain	B7Y3BM	Methyl (2S)-5-[[amino(nitramido)methylidene]amino]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]pentanoate;2,2,2-trifluoroacetic acid	Investigative	49859953	C18H25F3N6O7	494.4	COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)[C@H](CC1=CC=CC=C1)N.C(=O)(C(F)(F)F)O	Ki = 370000 nM	Non binder
T16117	Nitric-oxide synthase brain	B8M5BW	1-Phenylimidazole	Investigative	81595	C9H8N2	144.17	C1=CC=C(C=C1)N2C=CN=C2	Ki = 430000 nM	Non binder
T16117	Nitric-oxide synthase brain	B8UBS6	L-Ornithine, N5-[hydrazino(methylthio)methylene]-	Investigative	10585015	C7H16N4O2S	220.3	CSC(=NCCC[C@@H](C(=O)O)N)NN	IC50 = 327000 nM	Non binder
T16117	Nitric-oxide synthase brain	B9HPK7	1-(Prop-2-ynyl)guanidine	Investigative	10080329	C4H7N3	97.12	C#CCN=C(N)N	Ki = 12000000 nM	Non binder
T16117	Nitric-oxide synthase brain	BBE4P1	1-[3-(2-Amino-5-chlorophenyl)-3-hydroxypropyl]-3-propylthiourea	Investigative	127047968	C13H20ClN3OS	301.84	CCCNC(=S)NCCC(C1=C(C=CC(=C1)Cl)N)O	IC50 = 860000 nM	Non binder
T16117	Nitric-oxide synthase brain	BF7IN0	1H-Indazol-6-amine	Investigative	81423	C7H7N3	133.15	C1=CC2=C(C=C1N)NN=C2	IC50 > 1000000 nM	Non binder
T16117	Nitric-oxide synthase brain	BGK80N	3-Ethyl-1H-indazole	Investigative	12297611	C9H10N2	146.19	CCC1=C2C=CC=CC2=NN1	IC50 = 310000 nM	Non binder
T16117	Nitric-oxide synthase brain	BGW31F	Methyl (2R)-5-[[amino(nitramido)methylidene]amino]-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]pentanoate;2,2,2-trifluoroacetic acid	Investigative	52941715	C18H25F3N6O7	494.4	COC(=O)[C@@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)[C@@H](CC1=CC=CC=C1)N.C(=O)(C(F)(F)F)O	Ki = 400000 nM	Non binder
T16117	Nitric-oxide synthase brain	BH9CP0	5-Aminoindazole	Investigative	88012	C7H7N3	133.15	C1=CC2=C(C=C1N)C=NN2	IC50 > 1000000 nM	Non binder
T16117	Nitric-oxide synthase brain	BL6E3W	L-Ornithine, N5-(hydrazinothioxomethyl)-	Investigative	10798324	C6H14N4O2S	206.27	C(C[C@@H](C(=O)O)N)CNC(=S)NN	IC50 = 1621000 nM	Non binder
T16117	Nitric-oxide synthase brain	BL9RJ6	(2R)-2-Amino-3-[2-(diaminomethylideneamino)ethylsulfonyl]-2-methylpropanoic acid;dihydrochloride	Investigative	134138805	C7H18Cl2N4O4S	325.21	C[C@](CS(=O)(=O)CCN=C(N)N)(C(=O)O)N.Cl.Cl	IC50 = 220000 nM	Non binder
T16117	Nitric-oxide synthase brain	BM35HV	1H-Indazole, 3-bromo-1,5-dinitro-	Investigative	5057184	C7H3BrN4O4	287.03	C1=CC2=C(C=C1[N+](=O)[O-])C(=NN2[N+](=O)[O-])Br	IC50 = 275000 nM	Non binder
T16117	Nitric-oxide synthase brain	BMU81J	Methyl (2S)-2-[[(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]amino]-3-phenylpropanoate;2,2,2-trifluoroacetic acid	Investigative	52942950	C18H25F3N6O7	494.4	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N.C(=O)(C(F)(F)F)O	Ki = 290000 nM	Non binder
T16117	Nitric-oxide synthase brain	BN08DF	(2S)-2-Amino-6-(1-aminoethylideneamino)-N-(2H-tetrazol-5-yl)hexanamide;dihydrochloride	Investigative	49796134	C9H20Cl2N8O	327.21	CC(=NCCCC[C@@H](C(=O)NC1=NNN=N1)N)N.Cl.Cl	IC50 > 1850000 nM	Non binder
T16117	Nitric-oxide synthase brain	BNLO86	2-Imidazol-1-yl-1-(2-nitrophenyl)ethanone	Investigative	10823395	C11H9N3O3	231.21	C1=CC=C(C(=C1)C(=O)CN2C=CN=C2)[N+](=O)[O-]	Ki = 375000 nM	Non binder
T16117	Nitric-oxide synthase brain	BR6UZ4	1-[3-(2-Amino-5-chlorophenyl)-3-hydroxypropyl]-3-ethylthiourea	Investigative	127047967	C12H18ClN3OS	287.81	CCNC(=S)NCCC(C1=C(C=CC(=C1)Cl)N)O	IC50 = 800000 nM	Non binder
T16117	Nitric-oxide synthase brain	BRGK46	2,3,3a,4,5,9b-Hexahydro-1H-cyclopenta[c]quinoline	Investigative	16119079	C12H15N	173.25	C1C[C@H]2CNC3=CC=CC=C3[C@H]2C1	IC50 > 200000 nM	Non binder
T16117	Nitric-oxide synthase brain	BS2K8F	[(1R)-1-Acetamido-4-(diaminomethylideneamino)butyl]boronic acid;hydrochloride	Investigative	10332472	C7H18BClN4O3	252.51	B([C@H](CCCN=C(N)N)NC(=O)C)(O)O.Cl	IC50 > 500000 nM	Non binder
T16117	Nitric-oxide synthase brain	BVO4Q6	(2R)-2-Amino-3-[(2S)-1-(diaminomethylideneamino)propan-2-yl]sulfanyl-2-methylpropanoic acid;dihydrochloride	Investigative	134144338	C8H20Cl2N4O2S	307.24	C[C@@H](CN=C(N)N)SC[C@@](C)(C(=O)O)N.Cl.Cl	IC50 = 539000 nM	Non binder
T16117	Nitric-oxide synthase brain	BVYU09	Tert-butyl (2S,3S)-2-amino-3-[2-[[amino(methylsulfanyl)methylidene]amino]ethyl]hexanoate	Investigative	44402628	C14H29N3O2S	303.47	CCC[C@@H](CCN=C(N)SC)[C@@H](C(=O)OC(C)(C)C)N	IC50 = 500000 nM	Non binder
T16117	Nitric-oxide synthase brain	BW9RS0	1-[5-(2-Amino-4,5-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one	Investigative	71724308	C20H23N3O3	353.4	COC1=C(C=C(C(=C1)C2=NN(CC2)C(=O)CCC3=CC=CC=C3)N)OC	IC50 = 880000 nM	Non binder
T16117	Nitric-oxide synthase brain	BXR2P7	(S)-3-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-propionic acid	Investigative	44370729	C7H15N3O4S	237.28	CC(=NCCS(=O)(=O)C[C@H](C(=O)O)N)N	IC50 = 630000 nM	Non binder
T16117	Nitric-oxide synthase brain	BYMB25	(R)-5-Acetimidoylamino-2-(S)-amino-3-methyl-pentanoic acid	Investigative	44402453	C8H17N3O2	187.24	C[C@H](CCN=C(C)N)[C@@H](C(=O)O)N	IC50 > 1000000 nM	Non binder
T16117	Nitric-oxide synthase brain	D0H6JC	1,2-Dihydro-indazol-3-one	Investigative	81829	C7H6N2O	134.14	C1=CC=C2C(=C1)C(=O)NN2	IC50 > 1000000 nM	Non binder