TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T32262 Calcitonin gene-related peptide receptor B03KWQ (R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-(6-methoxy-2-thiophen-3-yl-quinolin-4-yl)-methanol Investigative 44323339 C24H28N2O2S 408.6 CCC1CN2CCC1CC2[C@@H](C3=CC(=NC4=C3C=C(C=C4)OC)C5=CSC=C5)O IC50 ~ 100000 nM Poor binder T32262 Calcitonin gene-related peptide receptor B1S6EM (4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Investigative 44273516 C54H78N12O18 1183.3 C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)O IC50 ~ 100000 nM Poor binder T32262 Calcitonin gene-related peptide receptor B2AV5T (2R)-6-Amino-2-[[(2S)-3-(4-amino-3,5-dibromophenyl)-2-(4-phenylbutanoylamino)propanoyl]amino]-N-phenylhexanamide Investigative 44403914 C31H37Br2N5O3 687.5 C1=CC=C(C=C1)CCCC(=O)N[C@@H](CC2=CC(=C(C(=C2)Br)N)Br)C(=O)N[C@H](CCCCN)C(=O)NC3=CC=CC=C3 IC50 = 50000 nM Poor binder T32262 Calcitonin gene-related peptide receptor B2MCR8 Yvptnvgsegf Investigative 44273364 C53H76N12O18 1169.2 C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)O IC50 = 51000 nM Poor binder T32262 Calcitonin gene-related peptide receptor B3SQ1O (2R)-6-Amino-2-[[(2S)-3-(4-amino-3,5-dibromophenyl)-2-(3-phenylpropanoylamino)propanoyl]amino]-N-(2-phenylethyl)hexanamide Investigative 44403918 C32H39Br2N5O3 701.5 C1=CC=C(C=C1)CCC(=O)N[C@@H](CC2=CC(=C(C(=C2)Br)N)Br)C(=O)N[C@H](CCCCN)C(=O)NCCC3=CC=CC=C3 IC50 = 196000 nM Poor binder T32262 Calcitonin gene-related peptide receptor B43CFH Yvptqvgseaf Investigative 44273609 C55H80N12O18 1197.3 C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)O IC50 = 95000 nM Poor binder T32262 Calcitonin gene-related peptide receptor B5DF1E (4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-4-Amino-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Investigative 44274076 C54H78N12O18 1183.3 C[C@H]([C@@H](C(=O)N[C@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)O IC50 ~ 100000 nM Poor binder T32262 Calcitonin gene-related peptide receptor B5UE2O (4S)-4-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Investigative 44274074 C54H78N12O18 1183.3 C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)O IC50 ~ 100000 nM Poor binder T32262 Calcitonin gene-related peptide receptor BCX9W0 Yvpsnvgseaf Investigative 44273843 C53H76N12O18 1169.2 C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N IC50 ~ 100000 nM Poor binder T32262 Calcitonin gene-related peptide receptor BK9RS5 (R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-[6-methoxy-2-(4-methoxy-phenyl)-quinolin-4-yl]-methanol Investigative 44323086 C27H32N2O3 432.6 CCC1CN2CCC1CC2[C@@H](C3=CC(=NC4=C3C=C(C=C4)OC)C5=CC=C(C=C5)OC)O IC50 ~ 100000 nM Poor binder T32262 Calcitonin gene-related peptide receptor BM2RG9 (4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Investigative 44273992 C54H78N12O18 1183.3 C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H](CC3=CC=C(C=C3)O)N)O IC50 = 80000 nM Poor binder T32262 Calcitonin gene-related peptide receptor BS1ON5 (R)-[2-(3-Amino-phenyl)-6-methoxy-quinolin-4-yl]-(5-ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol Investigative 44323087 C26H31N3O2 417.5 CCC1CN2CCC1CC2[C@@H](C3=CC(=NC4=C3C=C(C=C4)OC)C5=CC(=CC=C5)N)O IC50 ~ 100000 nM Poor binder T32262 Calcitonin gene-related peptide receptor BT14KE (R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-(6-methoxy-2-phenyl-quinolin-4-yl)-methanol Investigative 44323110 C26H30N2O2 402.5 CCC1CN2CCC1CC2[C@@H](C3=CC(=NC4=C3C=C(C=C4)OC)C5=CC=CC=C5)O IC50 = 96000 nM Poor binder T32262 Calcitonin gene-related peptide receptor BUTS02 Yvptavgseaf Investigative 44273969 C53H77N11O17 1140.2 C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)O IC50 ~ 100000 nM Poor binder T32262 Calcitonin gene-related peptide receptor BV8ZJ1 Yvptfvgseaf Investigative 44273362 C59H81N11O17 1216.3 C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)N)O IC50 = 70000 nM Poor binder T32262 Calcitonin gene-related peptide receptor BYR2K8 (R)-(2-Benzo[1,3]dioxol-5-yl-6-methoxy-quinolin-4-yl)-(5-ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol Investigative 44323341 C27H30N2O4 446.5 CCC1CN2CCC1CC2[C@@H](C3=CC(=NC4=C3C=C(C=C4)OC)C5=CC6=C(C=C5)OCO6)O IC50 = 74000 nM Poor binder