TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T53612	Kallikrein-6	B27DIE	Chembl4202434	Investigative	134405671	C25H26N4O3	430.5	CC1=C(C2=CC=CC=C2N1)CCC(=O)OCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C	IC50 = 58000 nM	Poor binder
T53612	Kallikrein-6	B4UJA1	(2R)-2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-[[(1R,7S,10S,13S,16S,22S,25S,28S,40R,43S,46S,49S,52S,58S,61S)-40-Acetamido-43,52-bis(2-amino-2-oxoethyl)-13-(carboxymethyl)-46-[(1R)-1-hydroxyethyl]-10,49,61-tris(1H-indol-3-ylmethyl)-16-methyl-25-(2-methylpropyl)-2,8,11,14,17,23,26,41,44,47,50,53,59,62-tetradecaoxo-30,38,65-trithia-3,9,12,15,18,24,27,42,45,48,51,54,60,63-tetradecazahexacyclo[32.29.3.132,36.03,7.018,22.054,58]heptahexaconta-32,34,36(67)-triene-28-carbonyl]amino]propanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid	Investigative	137637214	C117H160N32O28S3	2558.9	C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](CSCC3=CC4=CC(=C3)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@@H](CSC4)C(=O)N6CCC[C@H]6C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)O)CC7=CNC8=CC=CC=C87)CC9=CNC1=CC=CC=C19)CC(=O)N)CC1=CNC2=CC=CC=C21)[C@@H](C)O)CC(=O)N)NC(=O)C)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O)CC(C)C	Ki ~ 50000 nM	Poor binder
T53612	Kallikrein-6	B7CEB5	Chembl4211470	Investigative	16289649	C23H21N5O4	431.4	CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)CN3C=NC4=CC=CC=C4C3=O	IC50 = 170000 nM	Poor binder
T53612	Kallikrein-6	BHAG94	(7R,10S,13S,21S,24S,27S,30S,33S,36S,39S,42S,45R)-7-Acetamido-36-(3-amino-3-oxopropyl)-13-benzyl-24-(4-carbamimidamidobutyl)-39-(carboxymethyl)-10-(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-33-(1H-imidazol-5-ylmethyl)-30-methyl-42-(2-methylpropyl)-8,11,14,19,22,25,28,34,37,40,43-undecaoxo-5,47,52-trithia-9,12,15,20,23,26,29,32,35,38,41,44-dodecazatetracyclo[25.23.3.13,49.015,18]tetrapentaconta-1,3(54),49-triene-45-carboxylic acid	Investigative	137654508	C76H105N19O19S3	1685	C[C@H]1CN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCC2=CC3=CC(=C2)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CSC3)C(=O)N1)CCCCNC(=N)N)CC5=CC=C(C=C5)O)CC6=CC=CC=C6)CO)NC(=O)C)C(=O)O)CC(C)C)CC(=O)O)CCC(=O)N)CC7=CN=CN7	Ki ~ 50000 nM	Poor binder
T53612	Kallikrein-6	BIQ0W1	Chembl4202971	Investigative	145977988	C25H26N4O3	430.5	CC1=C(C2=CC=CC=C2N1)CC(=O)OCCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C	IC50 = 110000 nM	Poor binder
T53612	Kallikrein-6	BSLX15	Chembl4213650	Investigative	145967253	C26H24N4O3	440.5	CC1=C(C2=C(C=CC=C2N1)C#C)CC(=O)OCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C	IC50 ~ 50000 nM	Poor binder
T53612	Kallikrein-6	BWCN26	(2R)-2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-[[(7R,10S,13S,16S,22S,25S,28S,31R,34S,37S,45S,48S,51R)-51-Acetamido-45-benzyl-10-[(2S)-butan-2-yl]-34-(4-carbamimidamidobutyl)-13-(carboxymethyl)-48-(hydroxymethyl)-22,25,37-tris[(4-hydroxyphenyl)methyl]-9,12,15,21,24,27,30,33,36,39,44,47,50-tridecaoxo-28-propan-2-yl-5,53,58-trithia-8,11,14,20,23,26,29,32,35,38,43,46,49-tridecazapentacyclo[29.25.3.13,55.016,20.040,43]hexaconta-1(56),2,55(60)-triene-7-carbonyl]amino]propanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid	Investigative	137639385	C114H161N29O28S3	2481.9	CC[C@H](C)[C@H]1C(=O)N[C@@H](CSCC2=CC3=CC(=C2)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSC3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N1)CC(=O)O)CC6=CC=C(C=C6)O)CC7=CC=C(C=C7)O)C(C)C)CCCCNC(=N)N)CC8=CC=C(C=C8)O)CC9=CC=CC=C9)CO)NC(=O)C)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)O	Ki ~ 50000 nM	Poor binder