TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T82514 Neurokinin receptor 2 B06TUA Methyl 6-acetamido-3-[[(2S)-1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-4-(1H-indol-3-yl)-1-oxobutan-2-yl]carbamoyl]-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate Investigative 57394644 C34H33F6N5O6 721.6 CC(=O)NC1CC(=C2CCC(N2C1=O)C(=O)N[C@@H](CCC3=CNC4=CC=CC=C43)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C(=O)OC Ki > 3000000 nM Non binder T82514 Neurokinin receptor 3 B0AS6C n-Benzyl-7-methoxy-2-phenylquinoline-4-carboxamide Investigative 10270385 C24H20N2O2 368.4 COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4 Ki = 533000 nM Non binder T82514 Neurokinin receptor 1 B0JZO5 (2S)-2-N-[(2R)-1-[Benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide Investigative 10745788 C33H33N5O5 579.6 CN(CC1=CC=CC=C1)C(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@@H]4CCCN4C(=O)NC5=CC=CC=C5[N+](=O)[O-] IC50 = 274000 nM Non binder T82514 Neurokinin receptor 2 B67ESK Methyl 6-acetamido-3-[[(2S)-1-[benzyl(methyl)amino]-4-(1H-indol-3-yl)-1-oxobutan-2-yl]carbamoyl]-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-8-carboxylate Investigative 57391132 C33H37N5O6 599.7 CC(=O)NC1CC(=C2CCC(N2C1=O)C(=O)N[C@@H](CCC3=CNC4=CC=CC=C43)C(=O)N(C)CC5=CC=CC=C5)C(=O)OC Ki = 398000 nM Non binder T82514 Neurokinin receptor 1 BD0G5Y Chembl4215185 Investigative 145971823 C26H17F3N4O5S 554.5 CC1=CC=C(C=C1)S(=O)C2=C(OC(=C([C@H]2C3=CC=C(C=C3)[N+](=O)[O-])C#N)NC(=O)C(F)(F)F)C4=CC=CC=N4 EC50 = 350000 nM Non binder T82514 Neurokinin receptor 2 BN0G8T [3,5-Bis(trifluoromethyl)phenyl]methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoyl]amino]propanoate Investigative 57396389 C36H36F6N4O6 734.7 CC(C)C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)NC(=O)CNC(=O)OCC4=CC=CC=C4 Ki = 250000 nM Non binder