TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T02703 Nitric-oxide synthase inducible D0D3AI L-NAME Phase 2 39836 C7H15N5O4 233.23 COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N IC50 = 300000000 nM Non binder T02703 Nitric-oxide synthase inducible D0O3IT L-NMMA Discontinued in Phase 2 132862 C7H16N4O2 188.23 CN=C(N)NCCC[C@@H](C(=O)O)N IC50 = 170000000 nM Non binder T02703 Nitric-oxide synthase inducible 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 = 710000 nM Non binder T02703 Nitric-oxide synthase inducible B0BN1G 4-(1-Diazo-2,2,2-trifluoro-ethyl)-benzoic acid 2-amino-4-oxo-3,4-dihydro-pteridin-6-ylmethyl ester Investigative 136109082 C16H10F3N7O3 405.29 C1=CC(=CC=C1C(=[N+]=[N-])C(F)(F)F)C(=O)OCC2=CN=C3C(=N2)C(=O)NC(=N3)N IC50 = 374200 nM Non binder T02703 Nitric-oxide synthase inducible B29SFA 1-[3-(2-Aminophenyl)-3-hydroxypropyl]-3-propylthiourea Investigative 127048125 C13H21N3OS 267.39 CCCNC(=S)NCCC(C1=CC=CC=C1N)O IC50 = 880000 nM Non binder T02703 Nitric-oxide synthase inducible B4NW3M 2,7-Diamino-7-iminoheptanoic acid Investigative 4479245; 44392184 C7H15N3O2 173.21 C(CCC(=N)N)CC(C(=O)O)N Ki > 3000000 nM Non binder T02703 Nitric-oxide synthase inducible B5Y7ZM 3-Quinolinecarbonitrile, 4-[(2-amino-6-benzothiazolyl)amino]-6-methyl-7-[2-(1-piperidinyl)ethoxy]- Investigative 25169119 C25H26N6OS 458.6 CC1=CC2=C(C(=CN=C2C=C1OCCN3CCCCC3)C#N)NC4=CC5=C(C=C4)N=C(S5)N IC50 = 313000 nM Non binder T02703 Nitric-oxide synthase inducible B64BXA N'-[5-Fluoro-1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide Investigative 56950331 C20H25FN4S 372.5 CNC1CCC(CC1)N2CCC3=CC(=C(C=C32)N=C(C4=CC=CS4)N)F IC50 = 522000 nM Non binder T02703 Nitric-oxide synthase inducible 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 = 5000000 nM Non binder T02703 Nitric-oxide synthase inducible B6COE8 1-[3-(2-Aminophenyl)-3-hydroxypropyl]-3-methylthiourea Investigative 127047755 C11H17N3OS 239.34 CNC(=S)NCCC(C1=CC=CC=C1N)O IC50 = 350000 nM Non binder T02703 Nitric-oxide synthase inducible 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 T02703 Nitric-oxide synthase inducible B6EQ8V 3-Cyclopropyl-3,4-dihydroisoquinolin-1-amine Investigative 10977064 C12H14N2 186.25 C1CC1C2CC3=CC=CC=C3C(=N2)N IC50 = 300000000 nM Non binder T02703 Nitric-oxide synthase inducible B6VC7Q N',N'-Dibenzyl-6-(4-methoxyphenyl)pteridine-2,4-diamine Investigative 10575453 C27H24N6O 448.5 COC1=CC=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N(CC4=CC=CC=C4)CC5=CC=CC=C5 IC50 = 400000 nM Non binder T02703 Nitric-oxide synthase inducible B7RUZ8 6-Methyl-arginine Investigative 13154333 C7H16N4O2 188.23 CN(CCCC(C(=O)O)N)C(=N)N Ki = 1400000 nM Non binder T02703 Nitric-oxide synthase inducible B7ZQB3 6-(4-Methoxyphenyl)-4-N,4-N-dipropyl-5,6,7,8-tetrahydropteridine-2,4-diamine Investigative 10948273 C19H28N6O 356.5 CCCN(CCC)C1=NC(=NC2=C1NC(CN2)C3=CC=C(C=C3)OC)N IC50 = 280500 nM Non binder T02703 Nitric-oxide synthase inducible B83WDF 1-Amino-3-phenyl-8-fluoro-3,4-dihydroisoquinoline Investigative 9873870 C15H13FN2 240.27 C1C(N=C(C2=C1C=CC=C2F)N)C3=CC=CC=C3 IC50 = 130000000 nM Non binder T02703 Nitric-oxide synthase inducible B8FD6O 2-Amino-5-benzoyl-5,6,7,8-tetrahydro-3H-pteridin-4-one Investigative 136035302 C13H13N5O2 271.27 C1CN(C2=C(N1)N=C(NC2=O)N)C(=O)C3=CC=CC=C3 IC50 > 500000 nM Non binder T02703 Nitric-oxide synthase inducible B8LD1T 2-Amino-4-hydroxy-6-(4-fluorophenyl)pteridine Investigative 135973134 C12H8FN5O 257.22 C1=CC(=CC=C1C2=CN=C3C(=N2)C(=O)NC(=N3)N)F IC50 > 500000 nM Non binder T02703 Nitric-oxide synthase inducible BA02KT 6-(4-Chloro-phenyl)-N*4*,N*4*-diethyl-5,6,7,8-tetrahydro-pteridine-2,4-diamine Investigative 9819003 C16H21ClN6 332.8 CCN(CC)C1=NC(=NC2=C1NC(CN2)C3=CC=C(C=C3)Cl)N IC50 = 307400 nM Non binder T02703 Nitric-oxide synthase inducible BANP59 2-Amino-propionic acid 2-amino-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl ester Investigative 136109078 C10H16N6O3 268.27 CC(C(=O)OCC1CNC2=C(N1)C(=O)NC(=N2)N)N IC50 > 500000 nM Non binder T02703 Nitric-oxide synthase inducible BBD5H8 N'-[4-[2-(Methylamino)ethyl]-2,3-dihydro-1,4-benzothiazin-6-yl]thiophene-2-carboximidamide Investigative 44600413 C16H20N4S2 332.5 CNCCN1CCSC2=C1C=C(C=C2)N=C(C3=CC=CS3)N IC50 = 348000 nM Non binder T02703 Nitric-oxide synthase inducible 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 > 1000000 nM Non binder T02703 Nitric-oxide synthase inducible BC8W2E 1-Amino-3-(4-fluorophenyl)-8-chloro-3,4-dihydroisoquinoline Investigative 18785885 C15H12ClFN2 274.72 C1C(N=C(C2=C1C=CC=C2Cl)N)C3=CC=C(C=C3)F IC50 = 350000000 nM Non binder T02703 Nitric-oxide synthase inducible BE03ZY N'-[4-[2-(Methylamino)ethyl]-2,3-dihydro-1,4-benzothiazin-7-yl]furan-2-carboximidamide Investigative 44600248 C16H20N4OS 316.4 CNCCN1CCSC2=C1C=CC(=C2)N=C(C3=CC=CO3)N IC50 = 268000 nM Non binder T02703 Nitric-oxide synthase inducible BHQ8F7 2-Amino-6-naphthalen-1-yl-3H-pteridin-4-one Investigative 136109080 C16H11N5O 289.29 C1=CC=C2C(=C1)C=CC=C2C3=CN=C4C(=N3)C(=O)NC(=N4)N IC50 > 500000 nM Non binder T02703 Nitric-oxide synthase inducible BK3E1F 2-[2-[7-[[Amino(thiophen-2-yl)methylidene]amino]-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl-methylamino]acetic acid Investigative 44600245 C18H22N4O2S2 390.5 CN(CCN1CCSC2=C1C=CC(=C2)N=C(C3=CC=CS3)N)CC(=O)O IC50 = 241000 nM Non binder T02703 Nitric-oxide synthase inducible BL13FE (2S)-1-[2-[7-[[Amino(thiophen-2-yl)methylidene]amino]-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]pyrrolidine-2-carboxylic acid Investigative 44600246 C20H24N4O2S2 416.6 C1C[C@H](N(C1)CCN2CCSC3=C2C=CC(=C3)N=C(C4=CC=CS4)N)C(=O)O IC50 = 341000 nM Non binder T02703 Nitric-oxide synthase inducible 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 T02703 Nitric-oxide synthase inducible BNC70P 1-Amino-3-(2-thiazolyl)-3,4-dihydroisoquinoline Investigative 18785857 C12H11N3S 229.3 C1C(N=C(C2=CC=CC=C21)N)C3=NC=CS3 IC50 = 880000000 nM Non binder T02703 Nitric-oxide synthase inducible BNL3U1 1-Amino-3-(4-fluorophenyl)-8-fluoro-3,4-dihydroisoquinoline Investigative 10445220 C15H12F2N2 258.269 C1C(N=C(C2=C1C=CC=C2F)N)C3=CC=C(C=C3)F IC50 = 350000000 nM Non binder T02703 Nitric-oxide synthase inducible BONI41 N',N'-Dibenzyl-6-phenylpteridine-2,4-diamine Investigative 9931834 C26H22N6 418.5 C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC(=NC4=NC=C(N=C43)C5=CC=CC=C5)N IC50 = 451800 nM Non binder T02703 Nitric-oxide synthase inducible 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 = 770000 nM Non binder T02703 Nitric-oxide synthase inducible 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 T02703 Nitric-oxide synthase inducible BS6F2W N'-(5-Fluoro-1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide Investigative 56950187 C18H21FN4S 344.5 C1CNCCC1N2CCC3=CC(=C(C=C32)N=C(C4=CC=CS4)N)F IC50 = 481000 nM Non binder T02703 Nitric-oxide synthase inducible BS9B0I 6-(4-Chloro-phenyl)-N*4*-cyclohexylmethyl-5,6,7,8-tetrahydro-pteridine-2,4-diamine Investigative 9907534 C19H25ClN6 372.9 C1CCC(CC1)CNC2=NC(=NC3=C2NC(CN3)C4=CC=C(C=C4)Cl)N IC50 = 214200 nM Non binder T02703 Nitric-oxide synthase inducible BT9L2H 6-Phenyl-N*4*,N*4*-dipropyl-5,6,7,8-tetrahydro-pteridine-2,4-diamine Investigative 17958630 C18H26N6 326.4 CCCN(CCC)C1=NC(=NC2=C1NC(CN2)C3=CC=CC=C3)N IC50 = 229800 nM Non binder T02703 Nitric-oxide synthase inducible BU7AB3 [(1R)-1-Amino-4-(diaminomethylideneamino)butyl]boronic acid;dihydrochloride Investigative 10354581 C5H17BCl2N4O2 246.93 B([C@H](CCCN=C(N)N)N)(O)O.Cl.Cl IC50 = 300000 nM Non binder T02703 Nitric-oxide synthase inducible 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 = 370000 nM Non binder T02703 Nitric-oxide synthase inducible BXD70V 6-[[(3S,4S)-1-Benzyl-4-(3-phenylpropylamino)pyrrolidin-3-yl]methyl]pyridin-2-amine Investigative 24850852 C26H32N4 400.6 C1[C@@H]([C@@H](CN1CC2=CC=CC=C2)NCCCC3=CC=CC=C3)CC4=NC(=CC=C4)N Ki = 609000 nM Non binder T02703 Nitric-oxide synthase inducible 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 T02703 Nitric-oxide synthase inducible D0V9FZ L-2-Amino-4-(Guanidinooxy)Butyric Acid Investigative 439202 C5H12N4O3 176.17 C(CON=C(N)N)[C@@H](C(=O)O)N Ki = 220000 nM Non binder