TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T52790	Substance-K receptor	B08AVW	Methyl 3-[[(2S)-1-[benzyl(methyl)amino]-4-(1H-indol-3-yl)-1-oxobutan-2-yl]carbamoyl]-5-oxo-6-(phenylmethoxycarbonylamino)-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate	Investigative	57391133	C39H41N5O7	691.8	CN(CC1=CC=CC=C1)C(=O)[C@H](CCC2=CNC3=CC=CC=C32)NC(=O)C4CCC5=C(CC(C(=O)N45)NC(=O)OCC6=CC=CC=C6)C(=O)OC	Ki = 100000 nM	Poor binder
T52790	Substance-K receptor	B14VEK	(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(2R,5S,8R)-5,8-dibenzyl-2-[3-(diaminomethylideneamino)propyl]-3,6,9,15,20-pentaoxo-1,4,7,10,14-pentazacycloicos-10-yl]acetyl]amino]-4-methylpentanamide	Investigative	44308550	C46H69N11O8S	936.2	CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CN1CCCNC(=O)CCCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)CCCN=C(N)N	EC50 ~ 50000 nM	Poor binder
T52790	Substance-K receptor	B6B7VR	(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(6R,9S,12R)-6,9-dibenzyl-12-[3-(diaminomethylideneamino)propyl]-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicos-4-yl]acetyl]amino]-4-methylpentanamide	Investigative	44308551	C45H66N12O9S	951.1	CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)CCCN=C(N)N	EC50 ~ 50000 nM	Poor binder
T52790	Substance-K receptor	BC3OM0	(3R,9S,15S,21S)-9-[(4-Hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone	Investigative	73353048	C36H44N8O8	716.8	CC(C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O	Ki ~ 100000 nM	Poor binder
T52790	Substance-K receptor	BFD7J4	(3R,15S,21S)-3-(1H-Indol-3-ylmethyl)-9-[(4-methoxyphenyl)methyl]-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone	Investigative	73347011	C37H46N8O8	730.8	CC(C)[C@H]1C(=O)NCC(=O)NC(C(=O)NCC(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)OC	Ki = 73000 nM	Poor binder
T52790	Substance-K receptor	BK29QM	(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(2R,5S,8R)-5,8-dibenzyl-2-[3-(diaminomethylideneamino)propyl]-3,6,9,15,18-pentaoxo-1,4,7,10,14-pentazacyclooctadec-10-yl]acetyl]amino]-4-methylpentanamide	Investigative	44308431	C44H65N11O8S	908.1	CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)CCCN=C(N)N	EC50 ~ 50000 nM	Poor binder
T52790	Substance-K receptor	BKTC92	(3R,9S,15S,21S)-3-(1H-Indol-3-ylmethyl)-9-(1H-indol-5-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone	Investigative	73354569	C38H45N9O7	739.8	CC(C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)CC3=CNC4=CC=CC=C43)CC5=CC6=C(C=C5)NC=C6	Ki ~ 100000 nM	Poor binder
T52790	Substance-K receptor	BLWK13	(3R,15S,21S)-9-[Hydroxy-(4-hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-15-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone	Investigative	73350088	C36H44N8O9	732.8	CC(C)[C@H]1C(=O)NCC(=O)NC(C(=O)NCC(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)CC3=CNC4=CC=CC=C43)C(C5=CC=C(C=C5)O)O	Ki ~ 100000 nM	Poor binder
T52790	Substance-K receptor	BOTA56	(2S)-N-[(2S)-1-Amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[(2R,5S,8R)-5,8-dibenzyl-2-[3-(diaminomethylideneamino)propyl]-3,6,9,15,19-pentaoxo-1,4,7,10,14-pentazacyclononadec-10-yl]acetyl]amino]-4-methylpentanamide	Investigative	44308430	C45H67N11O8S	922.1	CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CN1CCCNC(=O)CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)CCCN=C(N)N	EC50 ~ 50000 nM	Poor binder