TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T57361	Kallikrein 7	B0CKA1	Tert-butyl N-[(2S)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate	Investigative	76317473	C23H34N2O6S	466.6	CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC3=CC=CC=C3	IC50 = 456800 nM	Non binder
T57361	Kallikrein 1	B1A0QP	4-[(2R)-3-(3-Carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-N,N-dimethylpiperazine-1-carboxamide	Investigative	10578280	C27H32N6O4S	536.6	CN(C)C(=O)N1CCN(CC1)C(=O)[C@@H](CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3	Ki > 1000000 nM	Non binder
T57361	Kallikrein 5	B1DKQ4	2-O-[(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate	Investigative	76317472	C23H31NO7	433.5	CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4	IC50 = 520700 nM	Non binder
T57361	Kallikrein 1	B1GUP7	Mupain-1	Investigative	101862198	C51H73N13O16S2	1188.3	C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)N)C(=O)O)CC(=O)O)CC(C)C)CC3=CC=C(C=C3)O)CCCN=C(N)N)CO)CC4=CC=C(C=C4)O	Ki > 1000000 nM	Non binder
T57361	Kallikrein 1	B1J8FR	3-[(R)-3-(4-Acetyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine	Investigative	10696955	C26H29N5O4S	507.6	CC(=O)N1CCN(CC1)C(=O)[C@@H](CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3	Ki > 1000000 nM	Non binder
T57361	Kallikrein 1	B1KIC5	N-[(3S,7E,9S,12R,16S,19S)-16-[[3-(Aminomethyl)phenyl]methyl]-12-[(2S)-butan-2-yl]-9-[(4-hydroxyphenyl)methyl]-2,6,11,14,18-pentaoxo-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-3-yl]acetamide	Investigative	57395841	C38H51N7O7	717.9	CC[C@H](C)[C@@H]1C(=O)N[C@H](/C=C/C(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(=O)N1)CC3=CC(=CC=C3)CN)NC(=O)C)CC4=CC=C(C=C4)O	Ki = 1800000 nM	Non binder
T57361	Kallikrein 1	B1Y2TO	3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2,2,5,7,8-pentamethyl-chroman-6-sulfonylamino)-propyl]-benzamidine	Investigative	44335624	C29H41N5O6S2	619.8	CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N[C@H](CC3=CC(=CC=C3)C(=N)N)C(=O)N4CCN(CC4)S(=O)(=O)C)C	Ki > 1000000 nM	Non binder
T57361	Kallikrein 1	B2R6WK	3-[(R)-3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine	Investigative	10815545	C26H31N5O4S	509.6	C1CN(CCN1CCO)C(=O)[C@@H](CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3	Ki > 1000000 nM	Non binder
T57361	Kallikrein 4	B34CMB	2-((3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)amino)-2-oxoethyl 2-(2-methyl-1H-indol-3-yl)acetate	Investigative	38335241	C24H24N4O3	416.5	CC1=C(C2=CC=CC=C2N1)CC(=O)OCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C	IC50 > 200000 nM	Non binder
T57361	Kallikrein 1	B3K9LO	3-[(R)-3-(4-Formyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine	Investigative	10624997	C25H27N5O4S	493.6	C1CN(CCN1C=O)C(=O)[C@@H](CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3	Ki > 1000000 nM	Non binder
T57361	Kallikrein 1	B4EK8N	3-[(R)-2-[2-(7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1-yl)-ethanesulfonylamino]-3-(4-methanesulfonyl-piperazin-1-yl)-3-oxo-propyl]-benzamidine	Investigative	44335601	C26H39N5O6S2	581.8	CC1(C2CCC1(C(=O)C2)CCS(=O)(=O)N[C@H](CC3=CC(=CC=C3)C(=N)N)C(=O)N4CCN(CC4)S(=O)(=O)C)C	Ki > 1000000 nM	Non binder
T57361	Kallikrein 1	B4U2LW	3-[Bis(6-aminohexyl)amino]tetrahydro-4H-thiopyran-4-one	Investigative	10664145	C17H35N3OS	329.5	C1CSCC(C1=O)N(CCCCCCN)CCCCCCN	Ki > 10000000 nM	Non binder
T57361	Kallikrein 1	B54PQU	N-[(2R)-1-[[(2S)-1-[[1-[4-(Diaminomethylideneamino)phenyl]-4,4,4-trifluoro-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]morpholine-4-carboxamide	Investigative	44333955	C31H40F3N7O5	647.7	CC(C)(C)[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)N=C(N)N)C(=O)C(F)(F)F)NC(=O)N3CCOCC3	Ki > 2500000 nM	Non binder
T57361	Kallikrein 1	B5S3JN	(3R,8R,11S,14S,17S,20S,23S,26S,29S,32S)-3-Amino-20-[(1-carbamimidoylpiperidin-4-yl)methyl]-11-(carboxymethyl)-23-(hydroxymethyl)-17,26-bis[(4-hydroxyphenyl)methyl]-29-methyl-14-(2-methylpropyl)-2,10,13,16,19,22,25,28,31-nonaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-8-carboxylic acid	Investigative	127037469	C54H77N13O16S2	1228.4	C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)N)C(=O)O)CC(=O)O)CC(C)C)CC3=CC=C(C=C3)O)CC4CCN(CC4)C(=N)N)CO)CC5=CC=C(C=C5)O	Ki > 1000000 nM	Non binder
T57361	Kallikrein 6	B6K3CI	Chembl4214840	Investigative	145972755	C26H28N4O3	444.5	CC1=C(C2=CC=CC=C2N1)C(C)(C)C(=O)OCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C	IC50 > 200000 nM	Non binder
T57361	Kallikrein 7	B8E4KZ	Benzyl (2S)-2-[[(2S)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate	Investigative	76317475	C35H39N3O7	613.7	C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H]4CO[C@H]5[C@@H]4OC[C@H]5OCC6=CC=CC=C6	IC50 = 249300 nM	Non binder
T57361	Kallikrein 7	BA5WX1	Tert-butyl N-[(2R)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate	Investigative	76317474	C29H35N3O6	521.6	CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OCC5=CC=CC=C5	IC50 = 418300 nM	Non binder
T57361	Kallikrein 7	BATK82	2-[[(3S,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclohexyl-2-methylpropanamide	Investigative	134151146	C32H42N2O6	550.7	CC(C)(C(=O)NC1CCCCC1)N([C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4)C(=O)CC5=CC=C(C=C5)OC	IC50 = 272000 nM	Non binder
T57361	Kallikrein 1	BAZ79C	Chembl432400	Investigative	73353029	C26H42N4O3S	490.7	CC[C@H](C)[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N(CCCCCCN)C2CSCCC2=O)N	Ki = 630000 nM	Non binder
T57361	Kallikrein 5	BDN6S5	[(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate	Investigative	76328379	C23H33NO7S	467.6	CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC3=CC=CC=C3	IC50 = 356600 nM	Non binder
T57361	Kallikrein 1	BDT52U	N-[(3S,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-N-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]benzamide	Investigative	134137014	C30H38N2O5	506.6	CC(C)(C(=O)NC1CCCCC1)N([C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5	IC50 = 400000 nM	Non binder
T57361	Kallikrein 7	BDT52U	N-[(3S,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-N-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]benzamide	Investigative	134137014	C30H38N2O5	506.6	CC(C)(C(=O)NC1CCCCC1)N([C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5	IC50 = 572000 nM	Non binder
T57361	Kallikrein 5	BE47TJ	Benzyl (2R)-2-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate	Investigative	76335659	C26H30N2O6	466.5	C1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OCC5=CC=CC=C5	IC50 = 320600 nM	Non binder
T57361	Kallikrein 5	BH14DR	Tert-butyl N-[(2R)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate	Investigative	76324824	C23H34N2O6	434.5	CC(C)[C@H](C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC3=CC=CC=C3)NC(=O)OC(C)(C)C	IC50 = 479800 nM	Non binder
T57361	Kallikrein 7	BH14DR	Tert-butyl N-[(2R)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate	Investigative	76324824	C23H34N2O6	434.5	CC(C)[C@H](C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC3=CC=CC=C3)NC(=O)OC(C)(C)C	IC50 > 1000000 nM	Non binder
T57361	Kallikrein 1	BI5U3N	6-Amino-N-[(3S,7E,9S,12R,16S,19S)-16-[[3-(aminomethyl)phenyl]methyl]-12-[(2S)-butan-2-yl]-9-[(4-hydroxyphenyl)methyl]-2,6,11,14,18-pentaoxo-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-3-yl]hexanamide	Investigative	57392333	C42H60N8O7	789	CC[C@H](C)[C@@H]1C(=O)N[C@H](/C=C/C(=O)NC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(=O)N1)CC3=CC(=CC=C3)CN)NC(=O)CCCCCN)CC4=CC=C(C=C4)O	Ki = 1300000 nM	Non binder
T57361	Kallikrein 1	BIR2K1	3-[(R)-3-(4-Methyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine	Investigative	10648370	C25H29N5O3S	479.6	CN1CCN(CC1)C(=O)[C@@H](CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3	Ki > 1000000 nM	Non binder
T57361	Kallikrein 1	BL7R2B	3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine	Investigative	10816339	C25H29N5O5S2	543.7	CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H](CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3	Ki > 1000000 nM	Non binder
T57361	Kallikrein 1	BLVZ41	Tert-butyl N-[(2R)-1-[[(1S)-2-[[1-[4-(diaminomethylideneamino)phenyl]-4,4,4-trifluoro-3-oxobutan-2-yl]amino]-1-naphthalen-2-yl-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate	Investigative	44333999	C37H39F3N6O5	704.7	CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](C2=CC3=CC=CC=C3C=C2)C(=O)NC(CC4=CC=C(C=C4)N=C(N)N)C(=O)C(F)(F)F	Ki = 223000 nM	Non binder
T57361	Kallikrein 6	BM10SO	Chembl4210437	Investigative	145966386	C25H24F3N5O2	483.5	CC1=C(C2=CC=CC=C2N1)CC(=O)NC(C(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C)C(F)(F)F	IC50 > 200000 nM	Non binder
T57361	Kallikrein 5	BP7O1U	[(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate	Investigative	76310252	C29H34N2O7	522.6	CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OCC5=CC=CC=C5	IC50 = 376600 nM	Non binder
T57361	Kallikrein 6	BQ06AN	Chembl4207321	Investigative	35192951	C23H22N4O3	402.4	CC1=C(C2=CC=CC=C2N1)C(=O)OCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C	IC50 > 200000 nM	Non binder
T57361	Kallikrein 7	BX8YL3	2-[[(3S,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-N-cyclohexyl-2-methylpropanamide	Investigative	134146409	C31H40N2O6	536.7	CC(C)(C(=O)NC1CCCCC1)N([C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4)C(=O)CC5=CC=C(C=C5)O	IC50 = 249000 nM	Non binder
T57361	Kallikrein 7	BXDR94	[(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate	Investigative	76328377	C23H33NO7	435.5	CC(C)[C@H](C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC3=CC=CC=C3)NC(=O)OC(C)(C)C	IC50 = 239000 nM	Non binder
T57361	Kallikrein 5	BXDR94	[(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate	Investigative	76328377	C23H33NO7	435.5	CC(C)[C@H](C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC3=CC=CC=C3)NC(=O)OC(C)(C)C	IC50 = 222900 nM	Non binder
T57361	Kallikrein 1	BY4MN6	2-[[(3S,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexyl-2-methylpropanamide	Investigative	134143793	C31H39FN2O5	538.6	CC(C)(C(=O)NC1CCCCC1)N([C@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4)C(=O)CC5=CC=C(C=C5)F	IC50 = 221000 nM	Non binder