TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T23471 Myeloperoxidase B12YHI H-Leu-Arg-Ala-Asn-Ile-Ser-Phe-Lys-AspMet-GIn-Leu-Gly-Arg-OH Investigative 44353014 C71H121N23O20S 1648.9 CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)N EC50 = 60000 nM Poor binder T23471 Myeloperoxidase B13XNK Xylarenone D Investigative 53360338 C26H40O7 464.6 CCC(C)CC(C)CC(CO)(C(=O)O[C@@H]1CC[C@@H]([C@@]2(C1=CC(=O)[C@]3([C@@H]2O3)C(=C)CO)C)C)O IC50 ~ 100000 nM Poor binder T23471 Myeloperoxidase B49MIP 2-(7-Methoxy-4-methylquinazolin-2-yl)guanidine Investigative 2835211 C11H13N5O 231.25 CC1=C2C=CC(=CC2=NC(=N1)N=C(N)N)OC IC50 = 93100 nM Poor binder T23471 Myeloperoxidase B86VZB 4-[[(E)-3-Carboxyprop-2-enoyl]amino]-2-[3-(trifluoromethyl)anilino]benzoic acid Investigative 44457087 C18H13F3N2O5 394.3 C1=CC(=CC(=C1)NC2=C(C=CC(=C2)NC(=O)/C=C/C(=O)O)C(=O)O)C(F)(F)F IC50 ~ 100000 nM Poor binder T23471 Myeloperoxidase B9HPV7 Xylarenone F Investigative 76321673 C26H42O6 450.6 CCC(C)CC(C)CC(CO)(C(=O)O[C@@H]1CC[C@@H]([C@@]2(C1=CC(=O)C(=C2)[C@@H](C)CO)C)C)O IC50 ~ 100000 nM Poor binder T23471 Myeloperoxidase BB0Q4C 3-[(3-Trifluoromethylphenyl)amino]phthalic acid Investigative 44457152 C15H10F3NO4 325.24 C1=CC(=CC(=C1)NC2=CC=CC(=C2C(=O)O)C(=O)O)C(F)(F)F IC50 ~ 100000 nM Poor binder T23471 Myeloperoxidase BH4V9R 4-Benzamido-2-[3-(trifluoromethyl)anilino]benzoic acid Investigative 44457088 C21H15F3N2O3 400.3 C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)NC3=CC=CC(=C3)C(F)(F)F IC50 = 58000 nM Poor binder T23471 Myeloperoxidase BJQX05 Xylarenone G Investigative 76321674 C26H42O6 450.6 CCC(C)CC(C)CC(CO)(C(=O)O[C@@H]1CC[C@@H]([C@@]2(C1=CC(=O)C(=C2)[C@H](C)CO)C)C)O IC50 ~ 100000 nM Poor binder T23471 Myeloperoxidase BL42AP Xylarenone C, (rel)- Investigative 53344593 C26H40O5 432.6 CCC(C)CC(C)CC(C)C(=O)O[C@@H]1CC[C@@H]([C@@]2(C1=CC(=O)[C@]3([C@@H]2O3)C(=C)CO)C)C IC50 ~ 100000 nM Poor binder T23471 Myeloperoxidase BM2N3X Ile-Ser-Phe-Lys-Asp-Met-Gln-Leu-Gly-Arg Investigative 10374115 C52H87N15O15S 1194.4 CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N EC50 = 60000 nM Poor binder T23471 Myeloperoxidase BQ1G9N H-Thi-Lys-AspMet-GIn-Leu-Gly-Arg-OH Investigative 44353001 C41H69N13O12S2 1000.2 CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC1=CC=CS1)N EC50 = 200000 nM Poor binder T23471 Myeloperoxidase BYWP32 4-(4-Hydroxybutanoylamino)-2-[3-(trifluoromethyl)anilino]benzoic acid Investigative 44457068 C18H17F3N2O4 382.3 C1=CC(=CC(=C1)NC2=C(C=CC(=C2)NC(=O)CCCO)C(=O)O)C(F)(F)F IC50 ~ 100000 nM Poor binder