TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T31479 Phospholipase A2 B0OR7V 4-[4-[2,4-Dihydroxy-3,6-dimethyl-5-[(1-phenylethylamino)methyl]benzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid Investigative 76331562 C38H41NO10 671.7 CC1=C(C(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C(=C(C(=C3C)CNC(C)C4=CC=CC=C4)O)C)O)C)O)C IC50 = 98000000 nM Non binder T31479 Phospholipase A2 B0R8PO 4-[[(3Z)-1-(2-Amino-2-oxoethyl)-3-benzylidene-2-methyl-2H-indolizin-8-yl]oxy]butanoic acid Investigative 44347250 C22H24N2O4 380.4 CC\\1C(=C2C(=CC=CN2/C1=C\\C3=CC=CC=C3)OCCCC(=O)O)CC(=O)N IC50 = 910000 nM Non binder T31479 Phospholipase A2 B1AZ7W 4-[4-[2,4-Dihydroxy-3,6-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]benzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid Investigative 122197355 C38H41NO10 671.7 CC1=C(C(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C(=C(C(=C3C)CN[C@@H](C)C4=CC=CC=C4)O)C)O)C)O)C IC50 = 60000000 nM Non binder T31479 Phospholipase A2 B2Q5DL Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenoxy]carbonyl]-4-methoxyphenyl] sulfoxide Investigative 10843834 C60H62O19S 1119.2 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C=CC(=C3)S(=O)C4=CC(=C(C=C4)OC)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)OC)C)OC)C)OC)C)OC)C IC50 = 11000000 nM Non binder T31479 Phospholipase A2 B43FIH 4-[4-[5-[[5-[4-(4-Carboxy-3-hydroxy-2,5,6-trimethylphenoxy)carbonyl-3-hydroxy-2,5,6-trimethylphenoxy]carbonyl-2,4-dihydroxy-3,6-dimethylphenyl]methyl]-2,4-dihydroxy-3,6-dimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid Investigative 16144962 C59H60O20 1089.1 CC1=C(C(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C(=C(C(=C3C)CC4=C(C(=C(C(=C4O)C)O)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)O)C)O)C)C)O)C)O)C)O)C IC50 > 100000000 nM Non binder T31479 Phospholipase A2 B5DE1I 4-(3-Benzyl-1-carbamoylmethyl-2-methyl-2,3-dihydro-indolizin-8-yloxy)-butyric acid methyl ester Investigative 44346872 C23H28N2O4 396.5 CC1C(N2C=CC=C(C2=C1CC(=O)N)OCCCC(=O)OC)CC3=CC=CC=C3 IC50 = 15000000 nM Non binder T31479 Phospholipase A2 B62ARO 4-[5-[[5-(4-Carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl-2,4-dimethoxy-3,6-dimethylphenyl]methyl]-2,4-dimethoxy-3,6-dimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid Investigative 10509638 C45H52O14 816.9 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)CC3=C(C(=C(C(=C3OC)C)OC)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)O)OC)C)C)OC)C)OC)C IC50 = 90000000 nM Non binder T31479 Phospholipase A2 B7X1DW 4-[4-[5-[[5-[4-(4-Carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl-3-methoxy-2,5,6-trimethylphenoxy]carbonyl-2,4-dimethoxy-3,6-dimethylphenyl]methyl]-2,4-dimethoxy-3,6-dimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid Investigative 16144090 C67H76O20 1201.3 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C(=C(C(=C3C)CC4=C(C(=C(C(=C4OC)C)OC)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)OC)C)OC)C)C)OC)C)OC)C)OC)C IC50 > 100000000 nM Non binder T31479 Phospholipase A2 B8O1RA Bis[3-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)-carbonyl]-4-methoxyphenyl]ether Investigative 10723410 C38H38O13 702.7 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C=CC(=C2)OC3=CC(=C(C=C3)OC)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)O)OC)C)OC)C IC50 > 100000000 nM Non binder T31479 Phospholipase A2 B8OY7V Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)-carbonyl]-4-methoxyphenyl]sulfide Investigative 10842569 C38H38O12S 718.8 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C=CC(=C2)SC3=CC(=C(C=C3)OC)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)O)OC)C)OC)C IC50 > 100000000 nM Non binder T31479 Phospholipase A2 BB6Q2A Succinic acid bis[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenyl] ester Investigative 44365927 C48H54O16 886.9 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)CCC(=O)OC3=C(C(=C(C(=C3C)C)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)O)OC)C)OC)C)C)OC)C IC50 = 60000000 nM Non binder T31479 Phospholipase A2 BD48KF 2-Methoxy-4-[2-methoxy-4-[2-methoxy-5-(4-methoxyphenyl)sulfanylbenzoyl]oxy-3,5,6-trimethylbenzoyl]oxy-3,5,6-trimethylbenzoic acid Investigative 44365796 C37H38O10S 674.8 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C=CC(=C3)SC4=CC=C(C=C4)OC)OC)C)OC)C IC50 = 100000000 nM Non binder T31479 Phospholipase A2 BDCH72 4-[4-[2,4-Dihydroxy-3,6-dimethyl-5-[[(2-oxo-2-phenylmethoxyethyl)amino]methyl]benzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid Investigative 122197354 C39H41NO12 715.7 CC1=C(C(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C(=C(C(=C3C)CNCC(=O)OCC4=CC=CC=C4)O)C)O)C)O)C IC50 = 10000000 nM Non binder T31479 Phospholipase A2 BI8OP5 Isophthalic acid bis[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenyl] ester Investigative 44365929 C52H54O16 935 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=CC(=CC=C3)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)O)OC)C)OC)C)C)OC)C IC50 > 100000000 nM Non binder T31479 Phospholipase A2 BJ4IH8 4-[4-[6-[4-(4-Carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl-3-methoxy-2,5,6-trimethylphenoxy]carbonyl-4-oxopyran-2-carbonyl]oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid Investigative 44365928 C51H52O18 952.9 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=CC(=O)C=C(O3)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)O)OC)C)OC)C)C)OC)C IC50 = 100000000 nM Non binder T31479 Phospholipase A2 BJ8IQ4 4-[4-[5-[3-[4-[4-(2,2-Dimethylpropanoyloxymethoxycarbonyl)-3-methoxy-2,5,6-trimethylphenoxy]carbonyl-3-methoxy-2,5,6-trimethylphenoxy]carbonyl-4-methoxyphenyl]sulfanyl-2-methoxybenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid Investigative 44365926 C66H72O20S 1217.3 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C=CC(=C3)SC4=CC(=C(C=C4)OC)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)OCOC(=O)C(C)(C)C)OC)C)OC)C)OC)C)OC)C IC50 > 100000000 nM Non binder T31479 Phospholipase A2 BMSX43 Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenoxy]carbonyl]-4-methoxyphenyl] ether Investigative 16143405 C60H62O19 1087.1 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C=CC(=C3)OC4=CC(=C(C=C4)OC)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)OC)C)OC)C)OC)C)OC)C IC50 = 6500000 nM Non binder T31479 Phospholipase A2 BN4TG9 Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenoxy]carbonyl]-4-methoxyphenyl] sulfide Investigative 16138504 C60H62O18S 1103.2 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C=CC(=C3)SC4=CC(=C(C=C4)OC)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)OC)C)OC)C)OC)C)OC)C IC50 = 55000000 nM Non binder T31479 Phospholipase A2 BNF6C7 Thielocin A1 Investigative 10865991 C54H60O18 997 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C([C@@](C4([C@](C3=O)(CC5=C(C(=C(C(=C5O4)C)OC)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)OC)C)C)C)O)(C)O)C)C)OC)C IC50 = 135000000 nM Non binder T31479 Phospholipase A2 BNJC08 2-[[(3Z)-3-[(2-Benzylphenyl)methylidene]-1-carbamoyl-2-ethyl-2H-indolizin-8-yl]oxy]acetic acid Investigative 44346973 C27H26N2O4 442.5 CCC1/C(=C/C2=CC=CC=C2CC3=CC=CC=C3)/N4C=CC=C(C4=C1C(=O)N)OCC(=O)O IC50 = 400000 nM Non binder T31479 Phospholipase A2 BRYF40 (3-Benzyl-1-carbamoylmethyl-2-methyl-2,3-dihydro-indolizin-8-yloxy)-acetic acid Investigative 44346890 C20H22N2O4 354.4 CC1C(N2C=CC=C(C2=C1CC(=O)N)OCC(=O)O)CC3=CC=CC=C3 IC50 = 12000000 nM Non binder T31479 Phospholipase A2 BS27AB 4-[4-[3-[[5-[4-(4-Carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl-3-methoxy-2,5,6-trimethylphenoxy]carbonyl-2,4-dihydroxy-3,6-dimethylphenyl]methyl]-2,4-dihydroxy-6-methylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid Investigative 16135012 C62H66O20 1131.2 CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)O)OC)C)OC)C)O)CC4=C(C(=C(C(=C4O)C)O)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)OC)C)OC)C)C)O IC50 = 18000000 nM Non binder T31479 Phospholipase A2 BSJ2Z0 2-[[(3Z)-1-(2-Amino-2-oxoethyl)-2-ethyl-3-[[3-(trifluoromethyl)phenyl]methylidene]-2H-indolizin-8-yl]oxy]acetic acid Investigative 44347181 C22H21F3N2O4 434.4 CCC\\1C(=C2C(=CC=CN2/C1=C\\C3=CC(=CC=C3)C(F)(F)F)OCC(=O)O)CC(=O)N IC50 = 240000 nM Non binder T31479 Phospholipase A2 BVJ81K 4-[4-[5-[(2,4-Dimethoxy-3,6-dimethylphenyl)methyl]-2,4-dimethoxy-3,6-dimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid Investigative 122197356 C44H52O12 772.9 CC1=CC(=C(C(=C1CC2=C(C(=C(C(=C2OC)C)OC)C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)O)OC)C)OC)C)C)OC)C)OC IC50 > 100000000 nM Non binder T31479 Phospholipase A2 BWCB59 Fumaric acid bis[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenyl] ester Investigative 44365795 C48H52O16 884.9 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)/C=C/C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)OC4=C(C(=C(C(=C4C)C)C(=O)O)OC)C)OC)C)C)OC)C IC50 > 100000000 nM Non binder T31479 Phospholipase A2 BXWG71 Bis[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl]-3-methoxy-2,5,6-trimethylphenoxy]carbonyl]-4-methoxyphenyl] sulfone Investigative 10558196 C60H62O20S 1135.2 CC1=C(C(=C(C(=C1C(=O)O)OC)C)OC(=O)C2=C(C(=C(C(=C2C)C)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)C4=CC(=C(C=C4)OC)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)OC)C)OC)C)OC)C)OC)C IC50 = 9000000 nM Non binder T31479 Phospholipase A2 BXWK18 2-[[(3Z)-3-Benzylidene-1-carbamoyl-2-methyl-2H-indolizin-8-yl]oxy]acetic acid Investigative 44347265 C19H18N2O4 338.4 CC1/C(=C/C2=CC=CC=C2)/N3C=CC=C(C3=C1C(=O)N)OCC(=O)O IC50 = 420000 nM Non binder T31479 Phospholipase A2 BZ72GC 4-[4-[5-[3-[4-(4-Carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl-3-methoxy-2,5,6-trimethylphenoxy]carbonyl-4-methoxy-5-methylphenoxy]-2,4-dimethoxybenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid Investigative 16157140 C62H66O20 1131.2 CC1=CC(=CC(=C1OC)C(=O)OC2=C(C(=C(C(=C2C)C)C(=O)OC3=C(C(=C(C(=C3C)C)C(=O)O)OC)C)OC)C)OC4=C(C=C(C(=C4)C(=O)OC5=C(C(=C(C(=C5C)C)C(=O)OC6=C(C(=C(C(=C6C)C)C(=O)O)OC)C)OC)C)OC)OC IC50 = 6600000 nM Non binder