TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T37541 Carbonic anhydrase VII D07HBX Salicyclic acid Approved 338 C7H6O3 138.12 C1=CC=C(C(=C1)C(=O)O)O Ki = 82100 nM Poor binder T37541 Carbonic anhydrase VII D0X2AU Selenium compound 1 Patented 23427 C6H6O2Se 189.08 C1=CC=C(C=C1)[Se](=O)O Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII B1JOZ8 Bis(2-nitrophenyl) diselenide Investigative 101424 C12H8N2O4Se2 402.1 C1=CC=C(C(=C1)[N+](=O)[O-])[Se][Se]C2=CC=CC=C2[N+](=O)[O-] Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII B36YTS 3-(4-Methoxyphenyl)-4-tosyl-3,4-dihydro-2H-1,4-benzoselenazine Investigative 101564149 C22H21NO3SSe 458.4 CC1=CC=C(C=C1)S(=O)(=O)N2C(C[Se]C3=CC=CC=C32)C4=CC=C(C=C4)OC Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII B4GZ0I Carbonic acid Investigative 767 CH2O3 62.025 C(=O)(O)O Ki = 160000 nM Poor binder T37541 Carbonic anhydrase VII B4NO8M 3-(4-Methoxyphenyl)-4-tosyl-6-chloro-3,4-dihydro-2H-1,4-benzoselenazine Investigative 132547793 C22H20ClNO3SSe 492.9 CC1=CC=C(C=C1)S(=O)(=O)N2C(C[Se]C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)OC Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII B4SPD9 2,4-Dihydroxybenzoic acid Investigative 1491 C7H6O4 154.12 C1=CC(=C(C=C1O)O)C(=O)O Ki = 72000 nM Poor binder T37541 Carbonic anhydrase VII B5KRA0 4-(6-Methoxy-1,2,3,4-tetrahydroquinoline-1-carbonyl)benzene-1-sulfonamide Investigative 53516400 C17H18N2O4S 346.4 COC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N IC50 ~ 50000 nM Poor binder T37541 Carbonic anhydrase VII B6K2SQ 5-[1-Hydroxy-2-[[2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)ethyl]diselanyl]ethyl]-2-methoxyphenol Investigative 137642864 C18H22O6Se2 492.3 COC1=C(C=C(C=C1)C(C[Se][Se]CC(C2=CC(=C(C=C2)OC)O)O)O)O Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII B6Z4IJ N,N'-Bis(2-aminoethyl)-1,3-propanediamine Investigative 78479 C7H20N4 160.26 C(CNCCN)CNCCN Ki = 58000 nM Poor binder T37541 Carbonic anhydrase VII B79EKJ 1-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-(4-sulfamoylphenyl)urea Investigative 137641290 C19H24ClN5O3S 437.9 C1CN(CCN1CCNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl Ki ~ 50000 nM Poor binder T37541 Carbonic anhydrase VII B7KB3H Thiocyanic acid Investigative 781 CHNS 59.09 C(#N)S Ki = 170000 nM Poor binder T37541 Carbonic anhydrase VII B8TDZ9 Spermine(hbbh) Investigative 389642 C20H42N4O4 402.6 CC(C)(C)OC(=O)N(CCCCN(CCCN)C(=O)OC(C)(C)C)CCCN Ki = 108000 nM Poor binder T37541 Carbonic anhydrase VII BAB06K 1,1'-Selanediyldi(3-benzyloxypropan-2-ol) Investigative 122386532 C20H26O4Se 409.4 C1=CC=C(C=C1)COCC(C[Se]CC(COCC2=CC=CC=C2)O)O Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII BDG5B9 1-[2-(4-Benzylpiperazin-1-yl)ethyl]-3-(4-sulfamoylphenyl)urea Investigative 137647845 C20H27N5O3S 417.5 C1CN(CCN1CCNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC=CC=C3 Ki ~ 50000 nM Poor binder T37541 Carbonic anhydrase VII BF48BA 3-(4-Methoxyphenyl)-4-(2-nitrophenylsulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoselenazine Investigative 132547798 C21H17ClN2O5SSe 523.9 COC1=CC=C(C=C1)C2C[Se]C3=C(N2S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C=C(C=C3)Cl Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII BFMA75 [2-(7-Methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] pyridine-3-carboxylate Investigative 14057643 C21H19NO5 365.4 CC(=C)C(COC(=O)C1=CN=CC=C1)C2=C(C=CC3=C2OC(=O)C=C3)OC Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII BFU40J Methyl 3-[(2-Hydroxyphenoxy)Sulfonylamino]Propanoate Investigative 25258358 C10H13NO6S 275.28 COC(=O)CCNS(=O)(=O)OC1=CC=CC=C1O Ki = 68700 nM Poor binder T37541 Carbonic anhydrase VII BG65MT 2,5-Dihydroxybenzoic acid Investigative 3469 C7H6O4 154.12 C1=CC(=C(C=C1O)C(=O)O)O Ki = 68000 nM Poor binder T37541 Carbonic anhydrase VII BHGC36 4-Methyl-N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl]selanylbutan-2-yl]benzenesulfonamide Investigative 137643671 C24H36N2O4S2Se 559.7 CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C[Se]C[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)C)C(C)C Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII BHIG92 2-[(2-Amino-4-methylphenyl)diselanyl]-5-methylaniline Investigative 137634525 C14H16N2Se2 370.2 CC1=CC(=C(C=C1)[Se][Se]C2=C(C=C(C=C2)C)N)N Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII BL7O0I Bis[(S)-2-(tosylamino)-4-methylpentyl] perselenide Investigative 102151146 C26H40N2O4S2Se2 666.7 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C[Se][Se]C[C@H](CC(C)C)NS(=O)(=O)C2=CC=C(C=C2)C Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII BMU52N 1-[2-(4-Benzhydrylpiperazin-1-yl)ethyl]-3-(4-sulfamoylphenyl)urea Investigative 137636981 C26H31N5O3S 493.6 C1CN(CCN1CCNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C(C3=CC=CC=C3)C4=CC=CC=C4 Ki ~ 50000 nM Poor binder T37541 Carbonic anhydrase VII BOA31B 1-[2-[4-(4-Fluorophenyl)piperazin-1-yl]ethyl]-3-(4-sulfamoylphenyl)urea Investigative 137640310 C19H24FN5O3S 421.5 C1CN(CCN1CCNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)F Ki ~ 50000 nM Poor binder T37541 Carbonic anhydrase VII BP54NK Nitric acid Investigative 944 HNO3 63.013 [N+](=O)(O)[O-] Ki = 190000 nM Poor binder T37541 Carbonic anhydrase VII BP7QE0 1-[2-[4-(4-Methylphenyl)piperazin-1-yl]ethyl]-3-(4-sulfamoylphenyl)urea Investigative 137646329 C20H27N5O3S 417.5 CC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)NC3=CC=C(C=C3)S(=O)(=O)N Ki ~ 50000 nM Poor binder T37541 Carbonic anhydrase VII BP8KU1 Bis[2-hydroxy-3-(benzyloxy)propyl] perselenide Investigative 102480165 C20H26O4Se2 488.4 C1=CC=C(C=C1)COCC(C[Se][Se]CC(COCC2=CC=CC=C2)O)O Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII BQXH46 Lamellarin B Investigative 10076040 C30H25NO9 543.5 COC1=C(C=CC(=C1)C2=C3C4=CC(=C(C(=C4C=CN3C5=C2C6=CC(=C(C=C6OC5=O)O)OC)OC)OC)OC)O Ki = 58300 nM Poor binder T37541 Carbonic anhydrase VII BS58HU N1,N3-Bis(2-(2,2,2-trifluoroacetamido)ethyl)-propane-1,3-diaminium trifluoroacetate Investigative 46899573 C11H18F6N4O2 352.28 C(CNCCNC(=O)C(F)(F)F)CNCCNC(=O)C(F)(F)F Ki = 108000 nM Poor binder T37541 Carbonic anhydrase VII BTFJ40 9-(4-Methylphenyl)sulfonyl-2,3,3a,9a-tetrahydrofuro[3,2-b][1,4]benzoselenazine Investigative 137661006 C17H17NO3SSe 394.4 CC1=CC=C(C=C1)S(=O)(=O)N2C3C(CCO3)[Se]C4=CC=CC=C42 Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII BV0I2K N1,N12-Bis(trifluoroacetyl)-N4,N8-bis(t-butoxycarbonyl)spermine Investigative 389641 C24H40F6N4O6 594.6 CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Ki = 107000 nM Poor binder T37541 Carbonic anhydrase VII BXK3N0 1-(Phenylseleno)-3-(benzyloxy)-2-propanol Investigative 11034581 C16H18O2Se 321.3 C1=CC=C(C=C1)COCC(C[Se]C2=CC=CC=C2)O Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII BYG5E7 1-(Phenylseleno)-2-propanol Investigative 11183499 C9H12OSe 215.16 CC(C[Se]C1=CC=CC=C1)O Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII BYL4J9 3-(4-Methoxyphenyl)-4-(2-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoselenazine Investigative 137650698 C21H18N2O5SSe 489.4 COC1=CC=C(C=C1)C2C[Se]C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] Ki ~ 100000 nM Poor binder T37541 Carbonic anhydrase VII BZ2JG7 Sodium;[8-hydroxy-12-(3-hydroxy-4-methoxyphenyl)-7,16-dimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18-octaen-17-yl] sulfate Investigative 71717003 C28H22NNaO11S 603.5 COC1=C(C=C(C=C1)C2=C3C4=CC(=C(C=C4CCN3C5=C2C6=CC(=C(C=C6OC5=O)OC)O)OS(=O)(=O)[O-])OC)O.[Na+] Ki = 78400 nM Poor binder T37541 Carbonic anhydrase VII D00XJA 6-methoxy-2-oxo-2H-chromene-3-carboxylic acid Investigative 711717 C11H8O5 220.18 COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)O Ki = 50500 nM Poor binder