TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T60693	Opioid receptor kappa	B07KIG	Chembl4213827	Investigative	145967261	C20H21Br3O6	597.1	C[C@@]12CC[C@H]3C(=O)O[C@H](C[C@]3([C@@H]1[C@H]4[C@H]([C@@H]([C@@]2(C(=O)O4)O)Br)Br)C)C5=C(OC=C5)Br	EC50 ~ 50000 nM	Poor binder
T60693	Opioid receptor kappa	B0DPX8	Chembl4169128	Investigative	95177310	C19H23FN4O	342.4	C1CN(CCC1N[C@H](C2=CC=C(C=C2)F)C(=O)N)CC3=CC=CC=N3	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	B0DYA8	(7S,12Bs)-9-methoxy-7-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline	Investigative	124037303	C33H51NO10	621.8	CN1CC[C@]23C4C1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)OCCOCCOCCOCCOCCOCCOCCOC	Ki = 108317.5 nM	Poor binder
T60693	Opioid receptor kappa	B0YPD9	Chembl4169199	Investigative	145952813	C33H34N6O7	626.7	C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)N4C(=O)[C@H](OC4=O)CNC(=O)[C@H](CC5=CC=C(C=C5)O)N	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	B18GPB	Tyr-Gly-Pro-Phe-Leu-Nle-Arg-NH2	Investigative	11051174	C43H65N11O8	864	CCCC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	B1QR5D	(2S)-2-[[(2R)-2-Acetamido-3-(7-bromo-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide	Investigative	118709357	C24H26BrN5O4	528.4	CC(=O)N[C@H](CC1=CNC2=C1C=CC=C2Br)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	B26CVM	4-Methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide	Investigative	743974	C16H19NO3S	305.4	CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)OC)C	IC50 ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	B36QGD	(2S)-2-[[(2R)-2-Acetamido-3-(5-methyl-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide	Investigative	118709350	C25H29N5O4	463.5	CC1=CC2=C(C=C1)NC=C2C[C@H](C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N)NC(=O)C	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	B46HTL	4-(1-Benzhydryl-4-hydroxypiperidin-4-yl)benzonitrile	Investigative	44430021	C25H24N2O	368.5	C1CN(CCC1(C2=CC=C(C=C2)C#N)O)C(C3=CC=CC=C3)C4=CC=CC=C4	Ki = 61045 nM	Poor binder
T60693	Opioid receptor kappa	B4F5KA	Chembl4172930	Investigative	47023707	C18H19ClN2O2	330.8	C1CN(CC2=CC=CC=C21)CCNC(=O)C3=CC(=C(C=C3)O)Cl	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	B4TH1R	Chembl4213388	Investigative	145966041	C24H28O10	476.5	CC(=O)O[C@@H]1[C@@H]2[C@@H]3[C@@](CC[C@@H]4[C@]3(C[C@@H](OC4=O)C5=COC=C5)C)([C@]([C@@H]1OC(=O)C)(C(=O)O2)O)C	EC50 ~ 50000 nM	Poor binder
T60693	Opioid receptor kappa	B63SUK	Chembl4164624	Investigative	50964436	C18H24N6	324.4	CC1=C(C2=C(C=C1)NC(=N2)CNCC3=NN=C4N3CCCCC4)C	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	B7KZ8R	(4R,4Ar,6R,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-6,7-diol	Investigative	71819403	C18H23NO4	317.4	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H]([C@@H](C4)O)O	EC50 = 126000 nM	Poor binder
T60693	Opioid receptor kappa	B95TAP	(2S)-2-[[(2R)-2-Acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide	Investigative	15923664	C22H24N4O3	392.5	CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	B9NZI8	(2S)-2-[[(2R)-2-Acetamido-3-(7-bromo-2-methyl-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide	Investigative	118709360	C25H28BrN5O4	542.4	CC1=C(C2=C(N1)C(=CC=C2)Br)C[C@H](C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N)NC(=O)C	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	B9OCU1	(7S,12Bs)-9-methoxy-7-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline	Investigative	124037302	C31H47NO9	577.7	CN1CC[C@]23C4C1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)OCCOCCOCCOCCOCCOCCOC	Ki ~ 160000 nM	Poor binder
T60693	Opioid receptor kappa	BA50MF	(4R,4Ar,6R,7S,7aR,12bS)-6,9-dimethoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol	Investigative	71819402	C19H25NO4	331.4	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H]([C@@H](C4)OC)O	EC50 = 50000 nM	Poor binder
T60693	Opioid receptor kappa	BAKL20	(2S)-2-[[(2R)-2-Acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanamide;2,2,2-trifluoroacetic acid	Investigative	71455428	C19H22F3N5O5	457.4	CC(=O)N[C@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N.C(=O)(C(F)(F)F)O	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BAMC49	(2S)-2-[[(2R)-2-Acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide	Investigative	71457210	C24H27N5O4	449.5	CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BB5D1L	Chembl4218758	Investigative	145971020	C20H21BrO6	437.3	C[C@@]12CC[C@H]3C(=O)O[C@H](C[C@]3([C@@H]1[C@H]4C=C[C@@]2(C(=O)O4)O)C)C5=C(OC=C5)Br	EC50 ~ 50000 nM	Poor binder
T60693	Opioid receptor kappa	BC5L1Q	US9233167, a-6-mPEG1-O-Codeine	Investigative	124037288	C21H27NO4	357.4	CN1CC[C@]23C4C1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)OCCOC	Ki = 54669.89 nM	Poor binder
T60693	Opioid receptor kappa	BD6OC8	(2R)-2-Acetamido-6-amino-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]hexanamide;2,2,2-trifluoroacetic acid	Investigative	71453703	C21H30F3N5O6	505.5	CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N.C(=O)(C(F)(F)F)O	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BD8B5V	(2R)-2-Acetamido-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide;2,2,2-trifluoroacetic acid	Investigative	71453705	C21H30F3N7O6	533.5	CC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N.C(=O)(C(F)(F)F)O	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BF2V0J	(2R)-2-Acetamido-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide;2,2,2-trifluoroacetic acid	Investigative	71450062	C19H27F3N6O5	476.5	CC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N.C(=O)(C(F)(F)F)O	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BG17YE	(2S)-2-[[(2R)-2-Acetamido-3-(5-bromo-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide	Investigative	118709356	C24H26BrN5O4	528.4	CC(=O)N[C@H](CC1=CNC2=C1C=C(C=C2)Br)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BHE8I4	(2S)-2-[[(2R)-2-Acetamido-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide	Investigative	118709349	C25H29N5O4	463.5	CC1=C(C2=CC=CC=C2N1)C[C@H](C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N)NC(=O)C	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BJZF85	(7S,12Bs)-9-methoxy-7-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline	Investigative	124037300	C27H39NO7	489.6	CN1CC[C@]23C4C1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)OCCOCCOCCOCCOC	Ki = 96978.61 nM	Poor binder
T60693	Opioid receptor kappa	BLY6P7	Chembl4218745	Investigative	71473391	C20H22O6	358.4	C[C@@]12CC[C@H]3C(=O)O[C@H](C[C@]3([C@@H]1[C@H]4C=C[C@@]2(C(=O)O4)O)C)C5=COC=C5	EC50 ~ 50000 nM	Poor binder
T60693	Opioid receptor kappa	BM4L9A	(7S,12Bs)-9-methoxy-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline	Investigative	124037304	C37H59NO12	709.9	CN1CC[C@]23C4C1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC	Ki = 72246.23 nM	Poor binder
T60693	Opioid receptor kappa	BN98IW	(2S)-2-[[(2R)-2-Acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid	Investigative	71459066	C21H25F3N6O6	514.5	CC(=O)N[C@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N.C(=O)(C(F)(F)F)O	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BTD5M6	Chembl4164452	Investigative	145958562	C33H34N6O7	626.7	C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N4C(=O)[C@H](OC4=O)CNC(=O)[C@H](CC5=CC=C(C=C5)O)N	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BTI67C	(2R)-2-Acetamido-6-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hexanamide;2,2,2-trifluoroacetic acid	Investigative	71457208	C19H27F3N4O5	448.4	CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N.C(=O)(C(F)(F)F)O	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BUR46K	8-[Bis(2-chlorophenyl)methyl]-3-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one	Investigative	25190580	C30H33Cl2N3O	522.5	CCCCN1CN(C2(C1=O)CCN(CC2)C(C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)C5=CC=CC=C5	Ki = 81010 nM	Poor binder
T60693	Opioid receptor kappa	BV5T1K	(2R,5S,8R)-5-Benzyl-2-(1H-indol-3-ylmethyl)-3,6,10,14-tetraoxo-1,4,7,11-tetrazacyclotetradecane-8-carboxamide	Investigative	54751920	C27H30N6O5	518.6	C1CNC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)C(=O)N	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BVA37O	Chembl4172330	Investigative	145950961	C33H34N6O7	626.7	C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)N4C(=O)[C@@H](OC4=O)CNC(=O)[C@H](CC5=CC=C(C=C5)O)N	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BWA4D0	(7S,12Bs)-9-methoxy-7-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline	Investigative	124037301	C29H43NO8	533.7	CN1CC[C@]23C4C1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)OCCOCCOCCOCCOCCOC	Ki = 59138.22 nM	Poor binder
T60693	Opioid receptor kappa	BX85NQ	(2S)-2-[[(2R)-2-Acetamido-3-(5-nitro-1H-indol-3-yl)propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide	Investigative	118709358	C24H26N6O6	494.5	CC(=O)N[C@H](CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BZ0J9V	(3S,6R,12S)-3-Benzyl-12-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone	Investigative	54754507	C33H34N6O6	610.7	C1C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54	Ki ~ 100000 nM	Poor binder
T60693	Opioid receptor kappa	BZP64K	(1S,9S,16R)-16,17-Dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene	Investigative	122197510	C18H19N	249.3	C[C@@H]1[C@H]2C3=CC=CC=C3C[C@H](N1C)C4=CC=CC=C24	IC50 ~ 75000 nM	Poor binder