TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T87020 FK506-binding protein 4 B1F9DY (2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-5-aminopentanoyl]amino]propanoyl]amino]acetyl]-N-[(2R,3R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide Investigative 44294786 C31H55N9O8 681.8 CC[C@@H](C)[C@H](C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)C IC50 > 10000000 nM Non binder T87020 FK506-binding protein 4 B3C1LA 2-[3-[(1R)-1-[(2S)-1-[(2S)-2-Cyclohexyl-2-phenylacetyl]piperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid Investigative 10508532 C39H47NO8 657.8 COC1=C(C=C(C=C1)CC[C@H](C2=CC(=CC=C2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C4CCCCC4)C5=CC=CC=C5)OC Ki > 500000 nM Non binder T87020 FK506-binding protein 4 B41YID 4,4-Dimethyl-6,23-dioxa-1-azabicyclo[23.4.0]nonacosane-2,3,7,24-tetrone Investigative 44339420 C28H47NO6 493.7 CC1(COC(=O)CCCCCCCCCCCCCCCOC(=O)C2CCCCN2C(=O)C1=O)C Ki = 11000000 nM Non binder T87020 FK506-binding protein 4 B58DVH N-{1-[(Ethoxy-{2-[1-(4-nitro-phenylcarbamoyl)-2-phenyl-ethylcarbamoyl]-pyrrolidin-1-yl}-phosphinoylmethyl)-carbamoyl]-ethyl}-succinamic acid Investigative 44350865 C30H39N6O10P 674.6 CCOP(=O)(CNC(=O)[C@H](C)NC(=O)CCC(=O)O)N1CCCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] IC50 = 5400000 nM Non binder T87020 FK506-binding protein 4 B7JB8C (8E,10Z)-4,4-Dimethyl-6,19-dioxa-1-azabicyclo[19.4.0]pentacosa-8,10-diene-2,3,7,20-tetrone Investigative 44339414 C24H35NO6 433.5 CC1(COC(=O)/C=C/C=C\\CCCCCCCOC(=O)C2CCCCN2C(=O)C1=O)C Ki = 340000 nM Non binder T87020 FK506-binding protein 4 BER68S 2-[3-[(1R)-1-[(2S)-1-[(2R)-2-Cyclohexylpropanoyl]piperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid Investigative 117968005 C34H45NO8 595.7 C[C@H](C1CCCCC1)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCC(=O)O Ki > 1000000 nM Non binder T87020 FK506-binding protein 4 BH1FU3 2-[3-[(1R)-1-[(2S)-1-[(2R)-2-Cyclohexylpent-4-enoyl]piperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid Investigative 117967814 C36H47NO8 621.8 COC1=C(C=C(C=C1)CC[C@H](C2=CC(=CC=C2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@H](CC=C)C4CCCCC4)OC Ki > 500000 nM Non binder T87020 FK506-binding protein 4 BIUQ29 (2S)-1-[(2R)-2-[[(2S)-2-Acetamidopropanoyl]amino]propanoyl]-N-[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide Investigative 73353060 C28H34N6O7 566.6 C[C@@H](C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C IC50 = 640000 nM Non binder T87020 FK506-binding protein 4 BK8V7S 4,4-Dimethyl-6,19-dioxa-1-azabicyclo[19.4.0]pentacosane-2,3,7,20-tetrone Investigative 3350117 C24H39NO6 437.6 CC1(COC(=O)CCCCCCCCCCCOC(=O)C2CCCCN2C(=O)C1=O)C Ki = 290000 nM Non binder T87020 FK506-binding protein 4 BKYQ54 N-Succinyl-ala-ala-pro-phe-p-nitroanilide Investigative 5496888 C30H36N6O9 624.6 C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)CCC(=O)O IC50 = 540000 nM Non binder T87020 FK506-binding protein 4 BL2FM7 (2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S,3S)-3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]pyrrolidine-2-carboxamide Investigative 10628798 C37H55N9O7 737.9 CC[C@H](C)[C@@H](C(=O)NCCC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](C(C)C)NC(=O)C IC50 = 325000 nM Non binder T87020 FK506-binding protein 4 BMPQ82 Suc-Ala-Gly-Pro-Phe-pNA Investigative 6540258 C29H34N6O9 610.6 C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)CCC(=O)O IC50 = 1450000 nM Non binder T87020 FK506-binding protein 4 BN61IP (8E,10E)-4,4-Dimethyl-6,19-dioxa-1-azabicyclo[19.4.0]pentacosa-8,10-diene-2,3,7,20-tetrone Investigative 44339433 C24H35NO6 433.5 CC1(COC(=O)/C=C/C=C/CCCCCCCOC(=O)C2CCCCN2C(=O)C1=O)C Ki = 840000 nM Non binder T87020 FK506-binding protein 4 BQ3T1R 4,4-Dimethyl-6,11-dioxa-1-azabicyclo[11.4.0]heptadecane-2,3,7,12-tetrone Investigative 44339421 C16H23NO6 325.36 CC1(COC(=O)CCCOC(=O)C2CCCCN2C(=O)C1=O)C Ki = 2900000 nM Non binder T87020 FK506-binding protein 4 BSRA97 1-[3-[[(2S)-2-Acetamidopropanoyl]amino]-2-oxopropanoyl]-N-[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide Investigative 44350840 C28H32N6O8 580.6 C[C@@H](C(=O)NCC(=O)C(=O)N1CCCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C IC50 = 215000 nM Non binder T87020 FK506-binding protein 4 BZ2J5E (2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S,3S)-1-(2,2-diphenylethylamino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide Investigative 10700607 C43H59N9O7 814 CC[C@H](C)[C@@H](C(=O)NCC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](C(C)C)NC(=O)C IC50 = 365000 nM Non binder