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 BAN8J1 Ethyl 2-[(1R,9R,10S,12R)-10-hydroxy-4-methoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate Investigative 77107153 C22H29NO5 387.5 CCOC(=O)C[C@H]1C[C@]2([C@H]3CC4=C([C@@]2(CCN3C)CC1=O)C=C(C=C4)OC)O EC50 > 200000 nM Non binder T60693 Opioid receptor kappa BD3ZN8 (1R,9R,10S,12R)-10-Hydroxy-4-methoxy-17-methyl-12-(2-oxo-2-piperidin-1-ylethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one Investigative 90255932 C25H34N2O4 426.5 CN1CC[C@]23CC(=O)[C@H](C[C@]2([C@H]1CC4=C3C=C(C=C4)OC)O)CC(=O)N5CCCCC5 EC50 > 200000 nM Non binder T60693 Opioid receptor kappa BE8Y7H (2S)-1-[2-[(1R,9R,10S,12R)-17-(Cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetyl]pyrrolidine-2-carboxylic acid Investigative 77106954 C27H34N2O6 482.6 C1C[C@H](N(C1)C(=O)C[C@H]2C[C@]3([C@H]4CC5=C([C@@]3(CCN4CC6CC6)CC2=O)C=C(C=C5)O)O)C(=O)O EC50 > 200000 nM Non binder T60693 Opioid receptor kappa BJ3SU9 (2S)-2-Amino-N-[(2R)-1-[[(4S)-2-(2-amino-2-oxoethyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)-N-methylpropanamide Investigative 54669894 C27H35N5O5 509.6 CC1=CC(=CC(=C1C[C@@H](C(=O)N(C)[C@H](C)C(=O)N[C@H]2CC3=CC=CC=C3CN(C2=O)CC(=O)N)N)C)O Ki > 1000000 nM Non binder T60693 Opioid receptor kappa BLI7J9 (1R,9R,10S,12R)-10-Hydroxy-12-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one Investigative 90255817 C25H34N2O5 442.5 CN1CC[C@]23CC(=O)[C@H](C[C@]2([C@H]1CC4=C3C=C(C=C4)OC)O)CC(=O)N5CCC(CC5)O EC50 > 200000 nM Non binder T60693 Opioid receptor kappa BP69UG (4As,5R,10bR)-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]isoquinoline-7,8-diol Investigative 46869265 C19H21NO2 295.4 C1CNC[C@@H]2[C@@H]1[C@@H](CC3=C2C=CC(=C3O)O)C4=CC=CC=C4 Ki = 820000 nM Non binder T60693 Opioid receptor kappa BS5Z4K (2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-methylamino]propanoyl]amino]-N-(2-amino-2-oxoethyl)-N-methyl-3-phenylpropanamide Investigative 56834761 C27H37N5O5 511.6 CC1=CC(=CC(=C1C[C@@H](C(=O)N(C)[C@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N(C)CC(=O)N)N)C)O Ki > 1000000 nM Non binder T60693 Opioid receptor kappa BS8IP9 (1R,9R,10S,12R)-10-Hydroxy-4-methoxy-17-methyl-12-(2-oxo-2-pyrrolidin-1-ylethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one Investigative 90256146 C24H32N2O4 412.5 CN1CC[C@]23CC(=O)[C@H](C[C@]2([C@H]1CC4=C3C=C(C=C4)OC)O)CC(=O)N5CCCC5 EC50 > 200000 nM Non binder T60693 Opioid receptor kappa BUO4M6 (2S)-2-Amino-N-[(2R)-1-[[(4S)-2-(2-amino-2-oxoethyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide Investigative 54757387 C26H33N5O5 495.6 CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@H](C)C(=O)N[C@H]2CC3=CC=CC=C3CN(C2=O)CC(=O)N)N)C)O Ki > 1000000 nM Non binder T60693 Opioid receptor kappa BV4E8Y (1R,9R,10S,12R)-10-Hydroxy-4-methoxy-17-methyl-12-(2-morpholin-4-yl-2-oxoethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one Investigative 90255665 C24H32N2O5 428.5 CN1CC[C@]23CC(=O)[C@H](C[C@]2([C@H]1CC4=C3C=C(C=C4)OC)O)CC(=O)N5CCOCC5 EC50 > 200000 nM Non binder T60693 Opioid receptor kappa D08LIT SB-0304 Investigative 11641503 C25H29N5O5 479.5 C[C@H](C(=O)N[C@H]1CC2=CC=CC=C2CN(C1=O)CC(=O)N)N3CC4=C(C[C@@H](C3=O)N)C=CC(=C4)O Ki > 1000000 nM Non binder T60693 Opioid receptor kappa D0A3YH H-Tyr-NMe-D-Ala-Phe-Sar-NH2 Investigative 24853671 C25H33N5O5 483.6 C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N(C)CC(=O)N)N(C)C(=O)[C@H](CC2=CC=C(C=C2)O)N Ki > 1000000 nM Non binder