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 D08ZEB Chlorzoxazone Approved 2733 C7H4ClNO2 169.56 C1=CC2=C(C=C1Cl)NC(=O)O2 IC50 = 50000 nM Poor binder T16117 Nitric-oxide synthase brain D05QJT GW274150 Phase 2 9797017 C8H17N3O2S 219.31 CC(=NCCSCC[C@@H](C(=O)O)N)N IC50 = 144543.98 nM Poor binder T16117 Nitric-oxide synthase brain D0V0NL Aminoguanidine Phase 1 2146 CH6N4 74.09 C(=NN)(N)N IC50 = 118000 nM Poor binder T16117 Nitric-oxide synthase brain B01SRT N-(1,3-Benzodioxol-5-ylmethyl)-2-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrol-1-yl]-N-methylethanamine Investigative 57394528 C23H24N6O2 416.5 CC1=CC(=NC(=N1)N2C=CN=C2)C3=CC=CN3CCN(C)CC4=CC5=C(C=C4)OCO5 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain B04XHY 6-Methyl-7,8-dihydropterin Investigative 135420615 C7H9N5O 179.18 CC1=NC2=C(NC1)N=C(NC2=O)N IC50 = 145000 nM Poor binder T16117 Nitric-oxide synthase brain B08CKF 1-[6-(4-Bromophenoxy)hexyl]imidazole Investigative 2843859 C15H19BrN2O 323.23 C1=CC(=CC=C1OCCCCCCN2C=CN=C2)Br Ki = 57000 nM Poor binder T16117 Nitric-oxide synthase brain B0CD9Y Cbz-L-Arg NO2-L-Dbu-NH2 Investigative 10671340 C18H28N8O6 452.5 C1=CC=C(C=C1)COC(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)N[C@@H](CCN)C(=O)N Ki = 52000 nM Poor binder T16117 Nitric-oxide synthase brain B0I6MH 3-Chloro-1H-indazole Investigative 95894 C7H5ClN2 152.58 C1=CC2=C(NN=C2C=C1)Cl IC50 = 100000 nM Poor binder T16117 Nitric-oxide synthase brain B0IB5Z Benzyl (2S)-2-[[(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]amino]-3-phenylpropanoate;2,2,2-trifluoroacetic acid Investigative 49859956 C24H29F3N6O7 570.5 C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N.C(=O)(C(F)(F)F)O Ki = 55000 nM Poor binder T16117 Nitric-oxide synthase brain B0NZ7B 1-[2-(4-Bromophenoxy)ethyl]imidazole Investigative 867248 C11H11BrN2O 267.12 C1=CC(=CC=C1OCCN2C=CN=C2)Br Ki = 125000 nM Poor binder T16117 Nitric-oxide synthase brain B0R8KY 4-Morpholino-6-phenylpteridine-2-amine Investigative 10518871 C16H16N6O 308.34 C1COCCN1C2=NC(=NC3=NC=C(N=C32)C4=CC=CC=C4)N IC50 = 82000 nM Poor binder T16117 Nitric-oxide synthase brain B0UB5I 7-(2-Methoxyethoxy)-2-[2-(4-methoxypyridin-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine Investigative 10215218 C17H20N4O3 328.4 COCCOC1=C2C(=NC=C1)N=C(N2)CCC3=NC=CC(=C3)OC IC50 = 123026.88 nM Poor binder T16117 Nitric-oxide synthase brain B0UZS4 2-[3-(1,3-Benzodioxol-5-ylmethylamino)propyl-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylacetamide Investigative 11532340 C20H25N7O3S 443.5 CN(C)C(=O)CN(CCCNCC1=CC2=C(C=C1)OCO2)C3=NC(=NS3)N4C=CN=C4 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain B15FDX N-(4-Isobutyrylamino-6,7-diphenyl-pteridin-2-yl)-isobutyramide Investigative 44331086 C26H26N6O2 454.5 CC(C)C(=O)NC1=NC(=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C(C)C IC50 = 94000 nM Poor binder T16117 Nitric-oxide synthase brain B19OFG N-Benzyl-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine Investigative 11695590 C16H20N6S 328.4 CN(CCCNCC1=CC=CC=C1)C2=NC(=NS2)N3C=CN=C3 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain B1BRE7 n-Methyl-3,4,5,6-tetrahydropyridin-2-amine Investigative 135458572 C6H12N2 112.17 CN=C1CCCCN1 IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain B1QXG5 H-Phe-Arg(NO2) Investigative 10713929 C15H22N6O5 366.37 C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)O)N Ki = 140000 nM Poor binder T16117 Nitric-oxide synthase brain B1R5NQ (S)-3-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-propionic acid Investigative 44370736 C7H15N3O3S 221.28 CC(=NCCS(=O)C[C@H](C(=O)O)N)N IC50 = 68000 nM Poor binder T16117 Nitric-oxide synthase brain B1XNI5 4-Piperidino-6-(4-methoxyphenyl)pteridine-2-amine Investigative 10830685 C18H20N6O 336.4 COC1=CC=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCCCC4 IC50 = 60000 nM Poor binder T16117 Nitric-oxide synthase brain B1XZ9N CID 11575808 Investigative 11575808 C18H20N10O2S 440.5 C1OC2=C(O1)C=C(C=C2)CNCCCN(CC3=NNN=N3)C4=NC(=NS4)N5C=CN=C5 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain B26KJS (S)-2-Amino-6-(1H-imidazol-5-yl)hexanoic acid Investigative 44586267 C9H15N3O2 197.23 C1=C(NC=N1)CCCC[C@@H](C(=O)O)N Ki = 65000 nM Poor binder T16117 Nitric-oxide synthase brain B2J7BU 1-(2-Biphenyl-4-yl-ethyl)-1H-imidazole Investigative 10705708 C17H16N2 248.32 C1=CC=C(C=C1)C2=CC=C(C=C2)CCN3C=CN=C3 Ki = 175000 nM Poor binder T16117 Nitric-oxide synthase brain B2TB0U (S)-2-Amino-5-(1-phenyl-1H-imidazol-5-yl)pentanoic acid Investigative 44586305 C14H17N3O2 259.3 C1=CC=C(C=C1)N2C=NC=C2CCC[C@@H](C(=O)O)N Ki = 80000 nM Poor binder T16117 Nitric-oxide synthase brain B34WEV 1-(4-(2-Bromophenoxy)butyl)-1H-imidazole Investigative 2843697 C13H15BrN2O 295.17 C1=CC=C(C(=C1)OCCCCN2C=CN=C2)Br Ki = 180000 nM Poor binder T16117 Nitric-oxide synthase brain B36FAQ 1-Methyl-2-piperidinimine Investigative 12449028 C6H12N2 112.17 CN1CCCCC1=N IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain B3GLX5 (S)-2-Amino-6-(1-phenyl-1H-imidazol-5-yl)hexanoic acid Investigative 44586306 C15H19N3O2 273.33 C1=CC=C(C=C1)N2C=NC=C2CCCC[C@@H](C(=O)O)N Ki = 100000 nM Poor binder T16117 Nitric-oxide synthase brain B3WO6V 2-Methyl-octahydro-benzo[b][1,4]thiazepin-(4E)-ylideneamine Investigative 44396192 C10H18N2S 198.33 CC1CC(=NC2CCCCC2S1)N IC50 ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain B3XHZ4 5-Methyl-1,3-benzoxazol-2(3H)-one Investigative 322632 C8H7NO2 149.15 CC1=CC2=C(C=C1)OC(=O)N2 IC50 = 50000 nM Poor binder T16117 Nitric-oxide synthase brain B40ZEM 1H-Indazol-7-amine Investigative 88901 C7H7N3 133.15 C1=CC2=C(C(=C1)N)NN=C2 IC50 = 115000 nM Poor binder T16117 Nitric-oxide synthase brain B43BSD [{3-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-propyl}-(3-imidazol-1-yl-[1,2,4]thiadiazol-5-yl)-amino]-acetic acid Investigative 11495366 C18H20N6O4S 416.5 C1OC2=C(O1)C=C(C=C2)CNCCCN(CC(=O)O)C3=NC(=NS3)N4C=CN=C4 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain B45GNH N-Pentyl-1H-pyrazole-1-carboxamidine Investigative 44326626 C9H16N4 180.25 CCCCCN=C(N)N1C=CC=N1 Ki = 60000 nM Poor binder T16117 Nitric-oxide synthase brain B47BWS 6-Methyl-[1,4]thiazepan-(5E)-ylideneamine Investigative 18721729 C6H12N2S 144.24 CC1CSCCN=C1N IC50 ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain B4B7HW 1-(3-(4-Bromophenoxy)propyl)-1H-imidazole Investigative 2843772 C12H13BrN2O 281.15 C1=CC(=CC=C1OCCCN2C=CN=C2)Br Ki = 125000 nM Poor binder T16117 Nitric-oxide synthase brain B4D0GU 7-Methoxy-2-[2-(4-methoxypyridin-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine Investigative 56673237 C15H16N4O2 284.31 COC1=CC(=NC=C1)CCC2=NC3=NC=CC(=C3N2)OC IC50 = 58884.37 nM Poor binder T16117 Nitric-oxide synthase brain B4KQ3U 4-Propyl-pyrrolidin-(2Z)-ylideneamine Investigative 18983434 C7H14N2 126.2 CCCC1CC(=NC1)N IC50 = 53000 nM Poor binder T16117 Nitric-oxide synthase brain B4W6MG N-(1,3-Benzodioxol-5-ylmethyl)-N'-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)propan-2-yl]ethane-1,2-diamine Investigative 11524048 C21H26N6O2 394.5 CC1=CC(=NC(=N1)N2C=CN=C2)C(C)(C)NCCNCC3=CC4=C(C=C3)OCO4 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain B4WGT6 5(N-Phenylthiocarbamoyl)-5,6,7,8-tetrahydropterin Investigative 135511896 C13H14N6OS 302.36 C1CN(C2=C(N1)N=C(NC2=O)N)C(=S)NC3=CC=CC=C3 IC50 = 50000 nM Poor binder T16117 Nitric-oxide synthase brain B56UZW 1-(3-(4-(Trifluoromethyl)phenoxy)propyl)-1H-imidazole Investigative 23218983 C13H13F3N2O 270.25 C1=CC(=CC=C1C(F)(F)F)OCCCN2C=CN=C2 Ki = 75000 nM Poor binder T16117 Nitric-oxide synthase brain B58UDC CID 11523510 Investigative 11523510 C18H21N7S 367.5 CN(CCCNCC1=CC2=C(C=C1)NC=C2)C3=NC(=NS3)N4C=CN=C4 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain B59YMI N',N'-Dimethyl-6-(4-methoxyphenyl)pteridine-2,4-diamine Investigative 9904260 C15H16N6O 296.33 CN(C)C1=NC(=NC2=NC=C(N=C21)C3=CC=C(C=C3)OC)N IC50 = 74000 nM Poor binder T16117 Nitric-oxide synthase brain B5XQ2C Benzyl (2S)-5-[[amino(nitramido)methylidene]amino]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]pentanoate;2,2,2-trifluoroacetic acid Investigative 49859954 C24H29F3N6O7 570.5 C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)N.C(=O)(C(F)(F)F)O Ki = 110000 nM Poor binder T16117 Nitric-oxide synthase brain B64QOR 3-(2-Butenyl)-5-iminohexahydro-1,4-oxazepine Investigative 44322605 C9H16N2O 168.24 C/C=C/CC1COCCC(=N1)N IC50 = 108000 nM Poor binder T16117 Nitric-oxide synthase brain B69AMD 6,7-Dihydro-5H-cyclopenta[b]pyridin-2-amine Investigative 10103217 C8H10N2 134.18 C1CC2=C(C1)N=C(C=C2)N IC50 ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain B6AS1J Methyl-(2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-yl)-amine Investigative 136026480 C13H16N2 200.28 CN=C1[C@@H]2CCC[C@@H]2C3=CC=CC=C3N1 IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain B72FTY N-(2,3,3a,9b-Tetrahydro-1H-cyclopenta[c]quinolin-4-yl)-hydroxylamine Investigative 44319750 C12H14N2O 202.25 C1C[C@H]2[C@@H](C1)C(=NC3=CC=CC=C23)NO IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain B7JUE6 2-Imidazol-1-yl-1-(4-phenylphenyl)ethanol Investigative 53616 C17H16N2O 264.32 C1=CC=C(C=C1)C2=CC=C(C=C2)C(CN3C=CN=C3)O Ki = 125000 nM Poor binder T16117 Nitric-oxide synthase brain B7Q3KX 2-(2-Methylimidazol-1-yl)-1-(4-nitrophenyl)ethanone Investigative 10377204 C12H11N3O3 245.23 CC1=NC=CN1CC(=O)C2=CC=C(C=C2)[N+](=O)[O-] Ki = 74000 nM Poor binder T16117 Nitric-oxide synthase brain B7U0EA D-Nitroarginine,methoxy-D-phenylalanine,with 2M of hydrochloric acid Investigative 10499986 C16H24N6O5 380.4 COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CCCN=C(N)N[N+](=O)[O-])N Ki = 150000 nM Poor binder T16117 Nitric-oxide synthase brain B7Z9RS 4-((2-Tert-Butyl-1H-benzo[d]imidazol-1-yl)methyl)-7,8-difluoroquinolin-2(1H)-one Investigative 24785966 C21H19F2N3O 367.4 CC(C)(C)C1=NC2=CC=CC=C2N1CC3=CC(=O)NC4=C3C=CC(=C4F)F EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain B89DKI 2-[(4-Ethoxyphenyl)methyl]-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-nitrobenzimidazole;dihydrochloride Investigative 90664349 C23H30Cl2N4O3 481.4 CCOC1=CC=C(C=C1)CC2=NC3=C(N2CCC4CCCN4C)C=CC(=C3)[N+](=O)[O-].Cl.Cl IC50 = 113000 nM Poor binder T16117 Nitric-oxide synthase brain B8B3US N-[(2,2-Difluoro-1,3-benzodioxol-5-yl)methyl]-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine Investigative 57396367 C17H18F2N6O2S 408.4 CN(CCCNCC1=CC2=C(C=C1)OC(O2)(F)F)C3=NC(=NS3)N4C=CN=C4 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain 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 = 90000 nM Poor binder T16117 Nitric-oxide synthase brain B8J6QA 4-(4-Ethoxy-pyridin-2-ylamino)-piperidine-1-carboxylic acid ethyl ester Investigative 11369870 C15H23N3O3 293.36 CCOC1=CC(=NC=C1)NC2CCN(CC2)C(=O)OCC IC50 = 96000 nM Poor binder T16117 Nitric-oxide synthase brain 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 = 65510 nM Poor binder T16117 Nitric-oxide synthase brain B8OW5U 2-Amino-6-decyloxymethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one Investigative 136035300 C17H31N5O2 337.5 CCCCCCCCCCOCC1CNC2=C(N1)C(=O)NC(=N2)N IC50 = 81000 nM Poor binder T16117 Nitric-oxide synthase brain B8POT1 N-[2-[1,3-Benzodioxol-5-ylmethyl(methyl)amino]ethyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide Investigative 57401590 C20H22N6O3 394.4 CC1=CC(=NC(=N1)N2C=CN=C2)C(=O)NCCN(C)CC3=CC4=C(C=C3)OCO4 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain B91YOS 4-(4'-Amino-1'-ethyl-5'-fluorospiro[piperidine-4,2'-quinazoline]-1-carbonyl)benzonitrile Investigative 24894150 C22H22FN5O 391.4 CCN1C2=C(C(=CC=C2)F)C(=NC13CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)N IC50 = 100000 nM Poor binder T16117 Nitric-oxide synthase brain B9GKU3 3,4-Dimethoxy-2-(methylsulfanylmethyl)pyridine Investigative 56679900 C9H13NO2S 199.27 COC1=C(C(=NC=C1)CSC)OC IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BA9S2V Ethyl 4-(pyridin-2-ylamino)piperidine-1-carboxylate Investigative 11357119 C13H19N3O2 249.31 CCOC(=O)N1CCC(CC1)NC2=CC=CC=N2 IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain 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 = 116900 nM Poor binder T16117 Nitric-oxide synthase brain BAU68G Hexahydro-indolizin-(3E)-ylideneamine Investigative 44393481 C8H14N2 138.21 C1CCN2C(C1)CCC2=N IC50 ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BBJ16P 2-[4-(1-Aminoethylideneamino)phenyl]acetic acid;hydrobromide Investigative 45261155 C10H13BrN2O2 273.13 CC(=NC1=CC=C(C=C1)CC(=O)O)N.Br Ki ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BBL13V (2S)-2-Amino-6-(1-aminoethylideneamino)-N-(2H-tetrazol-5-yl)hexanamide Investigative 9881505 C9H18N8O 254.29 CC(=NCCCC[C@@H](C(=O)NC1=NNN=N1)N)N IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BBY76S (2R)-2-Amino-3-[(2R)-1-(diaminomethylideneamino)propan-2-yl]sulfanyl-2-methylpropanoic acid;dihydrochloride Investigative 134147034 C8H20Cl2N4O2S 307.24 C[C@H](CN=C(N)N)SC[C@@](C)(C(=O)O)N.Cl.Cl IC50 = 86000 nM Poor binder T16117 Nitric-oxide synthase brain BC0GV2 CID 11631971 Investigative 11631971 C16H18F2N6S 364.4 CN(CCCNCC1=CC(=C(C=C1)F)F)C2=NC(=NS2)N3C=CN=C3 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BC3F2L 2-(1,3-Benzodioxol-5-ylmethylamino)-N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]acetamide Investigative 11596038 C19H20N6O3 380.4 CC1=CC(=NC(=N1)N2C=CN=C2)CNC(=O)CNCC3=CC4=C(C=C3)OCO4 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BCDT71 N-[2-(1,3-Benzodioxol-5-ylmethoxy)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethanamine Investigative 11589024 C20H23N5O3 381.4 CC1=CC(=NC(=N1)N2C=CN=C2)C(C)NCCOCC3=CC4=C(C=C3)OCO4 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BCS5M1 5-Methyloxazolo[5,4-b]pyridin-2-ol Investigative 44329820 C7H6N2O2 150.13 CC1=NC2=C(C=C1)NC(=O)O2 IC50 = 50000 nM Poor binder T16117 Nitric-oxide synthase brain BCUA54 5-Fluorobenzo[d]oxazol-2(3H)-one Investigative 287208 C7H4FNO2 153.11 C1=CC2=C(C=C1F)NC(=O)O2 IC50 ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BD0BZ7 N-(1,3-Benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)butan-1-amine Investigative 57392807 C20H23N5O2 365.4 CC1=CC(=NC(=N1)N2C=CN=C2)CCCCNCC3=CC4=C(C=C3)OCO4 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BD63ZE Ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate Investigative 24894151 C13H18ClN3O2 283.75 CCOC(=O)N1CCC(CC1)NC2=NC=CC(=C2)Cl IC50 = 63000 nM Poor binder T16117 Nitric-oxide synthase brain BDG64R 4-Acetimidoylamino-Benzoic Acid HCl Investigative 45264759 C9H11ClN2O2 214.65 CC(=NC1=CC=C(C=C1)C(=O)O)N.Cl Ki ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BDQY75 5-Methyl-4,5-dihydro-1,3-thiazol-2-amine Investigative 544920 C4H8N2S 116.19 CC1CN=C(S1)N IC50 ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BDWO38 2-Amino-6-methylsulfanylmethyl-3H-pteridin-4-one Investigative 136035292 C8H9N5OS 223.26 CSCC1=CN=C2C(=N1)C(=O)NC(=N2)N IC50 = 88000 nM Poor binder T16117 Nitric-oxide synthase brain BF0B7V Imidazole Investigative 795 C3H4N2 68.08 C1=CN=CN1 Ki = 175000 nM Poor binder T16117 Nitric-oxide synthase brain BFM6C1 (S)-3-(3-Acetimidoylamino-propoxy)-2-amino-propionic acid Investigative 44370662 C8H17N3O3 203.24 CC(=NCCCOC[C@@H](C(=O)O)N)N IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BFQ3T9 2-Benzyloxycarbonylamino-propionic acid 2-amino-4-oxo-3,4-dihydro-pteridin-6-ylmethyl ester Investigative 136035305 C18H18N6O5 398.4 CC(C(=O)OCC1=CN=C2C(=N1)C(=O)NC(=N2)N)NC(=O)OCC3=CC=CC=C3 IC50 = 130000 nM Poor binder T16117 Nitric-oxide synthase brain BG57ZQ N-[3-(2-Amino-5-methoxyphenyl)-3-hydroxypropyl]-N'-methylthiourea Investigative 127046260 C12H19N3O2S 269.37 CNC(=S)NCCC(C1=C(C=CC(=C1)OC)N)O IC50 = 180000 nM Poor binder T16117 Nitric-oxide synthase brain BGLE51 (R)-3-(3-Acetimidoylamino-propylsulfanyl)-2-amino-propionic acid Investigative 44370689 C8H17N3O2S 219.31 CC(=NCCCSC[C@@H](C(=O)O)N)N IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BGO6Z9 N'-[1-[2-(Diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]ethanimidamide;dihydrochloride Investigative 62706766 C24H35Cl2N5O 480.5 CCN(CC)CCN1C2=C(C=C(C=C2)N=C(C)N)N=C1CC3=CC=C(C=C3)OCC.Cl.Cl IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BH83MQ N-((5S,6R)-5-Amino-6,7-dihydroxy-heptyl)-acetamidine Investigative 10330523 C9H21N3O2 203.28 CC(=NCCCC[C@@H]([C@H](CO)O)N)N IC50 = 150000 nM Poor binder T16117 Nitric-oxide synthase brain BHEK71 CID 11703771 Investigative 11703771 C18H24N6O2S 388.5 CN(CCCNCC1=CC(=C(C=C1)OC)OC)C2=NC(=NS2)N3C=CN=C3 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BHMF80 (2R)-2-Amino-3-[2-(diaminomethylideneamino)ethylsulfinyl]-2-methylpropanoic acid;dihydrochloride Investigative 134154591 C7H18Cl2N4O3S 309.21 C[C@](CS(=O)CCN=C(N)N)(C(=O)O)N.Cl.Cl IC50 = 181000 nM Poor binder T16117 Nitric-oxide synthase brain 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 = 85100 nM Poor binder T16117 Nitric-oxide synthase brain BHSP32 Benzoic acid 2-amino-5-benzoyl-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl ester Investigative 136035309 C21H19N5O4 405.4 C1C(N(C2=C(N1)N=C(NC2=O)N)C(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4 IC50 = 172000 nM Poor binder T16117 Nitric-oxide synthase brain BI1XR9 4-Propyl-2-piperidinimine Investigative 10655660 C8H16N2 140.23 CCCC1CCN=C(C1)N IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BI54NS N-Cyclopropyl-pyrazole-1-carboxamidine Investigative 44326628 C7H10N4 150.18 C1CC1N=C(N)N2C=CC=N2 Ki = 50000 nM Poor binder T16117 Nitric-oxide synthase brain BIK96Z 4-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-butyric acid Investigative 44370690 C8H17N3O4S 251.31 CC(=NCCS(=O)(=O)CCC(C(=O)O)N)N IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BIL0Z5 3-(1H-Imidazol-5-ylmethyl)-L-alanine Investigative 12310464 C7H11N3O2 169.18 C1=C(NC=N1)CC[C@@H](C(=O)O)N Ki = 170000 nM Poor binder T16117 Nitric-oxide synthase brain BIP0H9 Methyl (2R)-2-[[(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]amino]-3-phenylpropanoate;2,2,2-trifluoroacetic acid Investigative 49859957 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 = 92000 nM Poor binder T16117 Nitric-oxide synthase brain BIU63T Hexahydro-thiazolo[3,4-a]pyridin-(3Z)-ylideneamine Investigative 44393495 C7H12N2S 156.25 C1CCN2C(C1)CSC2=N IC50 ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BJ70PT 7-Acetimidoylamino-2-amino-heptanoic acid Investigative 22133392 C9H19N3O2 201.27 CC(=NCCCCCC(C(=O)O)N)N IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BJ9Q3W 3-Chloro-6-nitro-1H-indazole Investigative 96652 C7H4ClN3O2 197.58 C1=CC2=C(NN=C2C=C1[N+](=O)[O-])Cl IC50 = 158000 nM Poor binder T16117 Nitric-oxide synthase brain BK0X7S N,4,6-Trimethylpyridin-2-amine Investigative 3792909 C8H12N2 136.19 CC1=CC(=NC(=C1)NC)C IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BL96IZ Methyl 2-[4-(1-aminoethylideneamino)phenyl]acetate;hydrochloride Investigative 45261160 C11H15ClN2O2 242.7 CC(=NC1=CC=C(C=C1)CC(=O)OC)N.Cl Ki ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BLAC03 7,8,9,10,11,11a-Hexahydro-6aH-cyclohepta[c]quinolin-6-ylamine Investigative 44319752 C14H18N2 214.31 C1CC[C@H]2[C@@H](CC1)C(=NC3=CC=CC=C23)N IC50 = 100000 nM Poor binder T16117 Nitric-oxide synthase brain BLT46D 3-[3-(1-Iminoethylamino)propylsulfonyl]-L-alanine Investigative 44370661 C8H17N3O4S 251.31 CC(=NCCCS(=O)(=O)C[C@@H](C(=O)O)N)N IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BN27LO (4-Amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone Investigative 11013353 C17H17FN4OS 344.4 C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)C4=CSC=C4 IC50 = 70000 nM Poor binder T16117 Nitric-oxide synthase brain BN6RW5 1-(4-(4-(Trifluoromethyl)phenoxy)butyl)-1H-imidazole Investigative 44586238 C14H15F3N2O 284.28 C1=CC(=CC=C1C(F)(F)F)OCCCCN2C=CN=C2 Ki = 94000 nM Poor binder T16117 Nitric-oxide synthase brain BO35BX 4-[[Amino(ethylsulfanyl)methylidene]amino]benzoic acid;hydroiodide Investigative 45260493 C10H13IN2O2S 352.19 CCSC(=NC1=CC=C(C=C1)C(=O)O)N.I Ki = 58000 nM Poor binder T16117 Nitric-oxide synthase brain BO9G5M 4,5-Dimethoxy-2-(methylsulfanylmethyl)pyridine Investigative 56666339 C9H13NO2S 199.27 COC1=C(C=NC(=C1)CSC)OC IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain 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 = 129300 nM Poor binder T16117 Nitric-oxide synthase brain BP1S0C 1-(4-(3-Bromophenoxy)butyl)-1H-imidazole Investigative 44586265 C13H15BrN2O 295.17 C1=CC(=CC(=C1)Br)OCCCCN2C=CN=C2 Ki = 60000 nM Poor binder T16117 Nitric-oxide synthase brain BP7BO1 Ethyl 4''-amino-1H,1''H-spiro[piperidine-4,2''-thieno[3,2-d]pyrimidine]-1-carboxylate Investigative 11098403 C13H18N4O2S 294.38 CCOC(=O)N1CCC2(CC1)NC3=C(C(=N2)N)SC=C3 IC50 = 50000 nM Poor binder T16117 Nitric-oxide synthase brain BPQ6E0 4-Methyl-1,3-benzoxazol-2(3H)-one Investigative 12709336 C8H7NO2 149.15 CC1=C2C(=CC=C1)OC(=O)N2 IC50 ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BPUT52 4-Phenyl-4,5-dihydro-1,3-thiazol-2-amine Investigative 13196077 C9H10N2S 178.26 C1C(N=C(S1)N)C2=CC=CC=C2 IC50 ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BPYU21 (S)-2-Amino-8-(1H-imidazol-5-yl)octanoic acid Investigative 44586304 C11H19N3O2 225.29 C1=C(NC=N1)CCCCCC[C@@H](C(=O)O)N Ki = 150000 nM Poor binder T16117 Nitric-oxide synthase brain BQ6DA3 (S)-2-Amino-7-(1-phenyl-1H-imidazol-5-yl)heptanoic acid Investigative 44586307 C16H21N3O2 287.36 C1=CC=C(C=C1)N2C=NC=C2CCCCC[C@@H](C(=O)O)N Ki = 70000 nM Poor binder T16117 Nitric-oxide synthase brain BQ91CX N-[3-[(3-Imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide Investigative 11610728 C17H18N6O3S 386.4 CN(CCCNC(=O)C1=CC2=C(C=C1)OCO2)C3=NC(=NS3)N4C=CN=C4 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BR09PI 5-Chloro-3-[(methyl-phenethyl-amino)-methyl]-3H-benzooxazol-2-one Investigative 44329995 C17H17ClN2O2 316.8 CN(CCC1=CC=CC=C1)CN2C3=C(C=CC(=C3)Cl)OC2=O IC50 = 68000 nM Poor binder T16117 Nitric-oxide synthase brain BR5FW9 2-({1H-Imidazo[4,5-c]pyridin-2-ylsulfanyl}methyl)-4-methoxypyridine Investigative 13768262 C13H12N4OS 272.33 COC1=CC(=NC=C1)CSC2=NC3=C(N2)C=NC=C3 IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BRIZ61 N'-(4-Hydroxyphenyl)ethanimidamide;hydrobromide Investigative 45261196 C8H11BrN2O 231.09 CC(=NC1=CC=C(C=C1)O)N.Br Ki ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BS18DR N'-(4-Methoxyphenyl)ethanimidamide;hydrochloride Investigative 45261213 C9H13ClN2O 200.66 CC(=NC1=CC=C(C=C1)OC)N.Cl Ki ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BS1C7E N-{5-[3-(4-Benzoyl-phenyl)-propionyl]-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-2-yl}-isobutyramide Investigative 135529990 C26H27N5O4 473.5 CC(C)C(=O)NC1=NC2=C(C(=O)N1)N(CCN2)C(=O)CCC3=CC=C(C=C3)C(=O)C4=CC=CC=C4 IC50 = 190000 nM Poor binder T16117 Nitric-oxide synthase brain BSGJ86 3-(4-Benzoyl-phenyl)-propionic acid 2-amino-4-oxo-3,4-dihydro-pteridin-6-ylmethyl ester Investigative 135464339 C23H19N5O4 429.4 C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CN=C4C(=N3)C(=O)NC(=N4)N IC50 = 60000 nM Poor binder T16117 Nitric-oxide synthase brain BSPK10 (2R)-2-Amino-2-[2-(diaminomethylideneamino)ethylsulfanylmethyl]-3-methoxypropanoic acid;dihydrochloride Investigative 134143646 C8H20Cl2N4O3S 323.24 COC[C@](CSCCN=C(N)N)(C(=O)O)N.Cl.Cl IC50 = 58000 nM Poor binder T16117 Nitric-oxide synthase brain BT13QP 4-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-butyric acid Investigative 44370704 C8H17N3O3S 235.31 CC(=NCCS(=O)CCC(C(=O)O)N)N IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BT26KA (S)-Pyrrolidine-2-carboximidamide Investigative 54583301 C5H11N3 113.16 C1C[C@H](NC1)C(=N)N IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BT7JF9 1H-Indazole Investigative 9221 C7H6N2 118.14 C1=CC=C2C(=C1)C=NN2 IC50 = 178000 nM Poor binder T16117 Nitric-oxide synthase brain BT95JE N-[3-(Aminomethyl)phenyl]-N'-methylethanimidamide;dihydrobromide Investigative 45261222 C10H17Br2N3 339.07 CC(=NC)NC1=CC=CC(=C1)CN.Br.Br Ki ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BTC5F6 Propyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate;hydrochloride Investigative 45264480 C11H14ClF3N2S 298.76 CCCSC(=NC1=CC=C(C=C1)C(F)(F)F)N.Cl Ki = 64000 nM Poor binder T16117 Nitric-oxide synthase brain BTH89F 5-Chloro-2-mercaptobenzoxazole Investigative 708870 C7H4ClNOS 185.63 C1=CC2=C(C=C1Cl)NC(=S)O2 IC50 ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain 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 = 50000 nM Poor binder T16117 Nitric-oxide synthase brain BUNA84 (R)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-butyric acid Investigative 12109769 C8H17N3O2S 219.31 CC(=NCCSCC[C@H](C(=O)O)N)N IC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BUX0T8 4-[3-(Trifluoromethyl)-3H-diazirine-3-yl]benzoic acid (2,4-diaminopteridine-6-yl)methyl ester Investigative 10549183 C16H11F3N8O2 404.31 C1=CC(=CC=C1C(=O)OCC2=CN=C3C(=N2)C(=NC(=N3)N)N)C4(N=N4)C(F)(F)F IC50 = 140000 nM Poor binder T16117 Nitric-oxide synthase brain BV2G6K 1-Benzyl-3-(2-isobutyrylamino-4-oxo-6,7-diphenyl-4,6,7,8-tetrahydro-3H-pteridine-5-carbonyl)-pyridinium Investigative 136035301 C35H33N6O3+ 585.7 CC(C)C(=O)NC1=NC2=C(C(=O)N1)N(C(C(N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=C[N+](=CC=C5)CC6=CC=CC=C6 IC50 = 111100 nM Poor binder T16117 Nitric-oxide synthase brain BV3U7X 2-Amino-6-(1-aminoethylideneamino)-5,5-difluorohexanoic acid;dihydrochloride Investigative 45263031 C8H17Cl2F2N3O2 296.14 CC(=NCC(CCC(C(=O)O)N)(F)F)N.Cl.Cl IC50 = 140000 nM Poor binder T16117 Nitric-oxide synthase brain BV4H1Z 2-Amino-6-phenoxymethyl-3H-pteridin-4-one Investigative 136035308 C13H11N5O2 269.26 C1=CC=C(C=C1)OCC2=CN=C3C(=N2)C(=O)NC(=N3)N IC50 = 63000 nM Poor binder T16117 Nitric-oxide synthase brain BVDH76 1-[2-(1,3-Benzodioxol-5-yl)ethyl]-3-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]urea Investigative 11646596 C19H20N6O3 380.4 CC1=CC(=NC(=N1)N2C=CN=C2)CNC(=O)NCCC3=CC4=C(C=C3)OCO4 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BVJT92 3-Phenyl-3,4-dihydro-2h-pyrrol-5-amine Investigative 211124 C10H12N2 160.22 C1C(CN=C1N)C2=CC=CC=C2 IC50 ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BW42NF 6-Acetimidoylamino-2-amino-5-fluoro-hexanoic acid Investigative 10219896 C8H16FN3O2 205.23 CC(=NCC(CCC(C(=O)O)N)F)N IC50 = 70400 nM Poor binder T16117 Nitric-oxide synthase brain BW4O5E CID 11624646 Investigative 11624646 C17H22N6OS 358.5 CN(CCCNCC1=CC=C(C=C1)OC)C2=NC(=NS2)N3C=CN=C3 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BWDY67 Methyl (2R)-5-[[amino(nitramido)methylidene]amino]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]pentanoate;2,2,2-trifluoroacetic acid Investigative 52944144 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 = 90000 nM Poor binder T16117 Nitric-oxide synthase brain BWT65F 4-Azido-benzoic acid 2-amino-4-oxo-3,4-dihydro-pteridin-6-ylmethyl ester Investigative 136035303 C14H10N8O3 338.28 C1=CC(=CC=C1C(=O)OCC2=CN=C3C(=N2)C(=O)NC(=N3)N)N=[N+]=[N-] IC50 = 125000 nM Poor binder T16117 Nitric-oxide synthase brain BWX05V Tert-butyl 4-(1-aminoethylideneamino)benzoate;hydrochloride Investigative 45261193 C13H19ClN2O2 270.75 CC(=NC1=CC=C(C=C1)C(=O)OC(C)(C)C)N.Cl Ki ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BX21GP 2,3,6,7-Tetrahydro-1H-1,4-diazepin-5-amine Investigative 18721714 C5H11N3 113.16 C1CNCCN=C1N IC50 ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BX6BQ8 2-Benzyloxycarbonylamino-3-phenyl-propionic acid 2,4-diamino-pteridin-6-ylmethyl ester Investigative 44331075 C24H23N7O4 473.5 C1=CC=C(C=C1)CC(C(=O)OCC2=CN=C3C(=N2)C(=NC(=N3)N)N)NC(=O)OCC4=CC=CC=C4 IC50 = 180000 nM Poor binder T16117 Nitric-oxide synthase brain BY3RI9 2-Oxo-2,3-dihydrobenzo[d]oxazole-5-carbonitrile Investigative 12969094 C8H4N2O2 160.13 C1=CC2=C(C=C1C#N)NC(=O)O2 IC50 = 50000 nM Poor binder T16117 Nitric-oxide synthase brain BY4AR5 N-(2-Amino-6,7-diphenyl-pteridin-4-yl)-isobutyramide Investigative 44331045 C22H20N6O 384.4 CC(C)C(=O)NC1=NC(=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)N IC50 = 192000 nM Poor binder T16117 Nitric-oxide synthase brain BYC8R0 CID 11609610 Investigative 11609610 C15H19N7S 329.4 CN(CCCNCC1=CC=NC=C1)C2=NC(=NS2)N3C=CN=C3 EC50 ~ 100000 nM Poor binder T16117 Nitric-oxide synthase brain BYZ39B N'-[4-(2-Morpholin-4-yl-2-oxoethyl)phenyl]ethanimidamide;hydrobromide Investigative 45264962 C14H20BrN3O2 342.23 CC(=NC1=CC=C(C=C1)CC(=O)N2CCOCC2)N.Br Ki ~ 50000 nM Poor binder T16117 Nitric-oxide synthase brain BZB7D4 S-{2-[(E)-(1-Aminoethylidene)amino]ethyl}-L-cysteine Investigative 44370730 C7H15N3O2S 205.28 CC(=NCCSC[C@@H](C(=O)O)N)N IC50 = 53000 nM Poor binder T16117 Nitric-oxide synthase brain BZI90A N*4*,N*4*-Dimethyl-6-p-tolyl-pteridine-2,4-diamine Investigative 9838603 C15H16N6 280.33 CC1=CC=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N(C)C IC50 = 75000 nM Poor binder T16117 Nitric-oxide synthase brain D02UKY 6-Hydroxymethylpterin Investigative 135415975 C7H7N5O2 193.16 . IC50 = 180000 nM Poor binder T16117 Nitric-oxide synthase brain D08UQH 2-(1H-Imidazol-1-yl)-1-(4-nitrophenyl)ethanone Investigative 53600 C11H9N3O3 231.21 C1=CC(=CC=C1C(=O)CN2C=CN=C2)[N+](=O)[O-] Ki = 105000 nM Poor binder