TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T14597 Erbb2 tyrosine kinase receptor D06IAR Adenosine Approved 60961 C10H13N5O4 267.24 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N IC50 ~ 1600000 nM Non binder T14597 Erbb2 tyrosine kinase receptor B19WYH PD158780 Analog 5h Investigative 5328354 C17H19BrN6 387.3 CN(C)CCNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br IC50 = 379000 nM Non binder T14597 Erbb2 tyrosine kinase receptor B1KOX8 PD158780 Analog 5k Investigative 5328357 C20H25BrN6O 445.4 CCN(CC)CC(CNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)O IC50 = 1100000 nM Non binder T14597 Erbb2 tyrosine kinase receptor BDPB70 Tyrphostin deriv. 58 Investigative 5328776 C21H20N2O5 380.4 CCOC(=O)C(CC1=CC=CC=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N IC50 = 331131.12 nM Non binder T14597 Erbb2 tyrosine kinase receptor BEJ62B 4-Phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol Investigative 51000510 C17H11NO3 277.27 C1=CC=C(C=C1)C2=C3C4=C(C=CC(=C4)O)OC3=NC=C2O Ki > 1000000 nM Non binder T14597 Erbb2 tyrosine kinase receptor BH7WA4 2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)- Investigative 5328775 C20H20N2O3 336.4 C1=CC=C(C=C1)CCCCNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N IC50 > 500000 nM Non binder T14597 Erbb2 tyrosine kinase receptor BQTA68 PD158780 Analog 5n Investigative 5328360 C19H21BrN6O 429.3 C1COCCN1CCNC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=CC=C4)Br IC50 = 219000 nM Non binder T14597 Erbb2 tyrosine kinase receptor BW1MT3 9-Butyl-8-(3,4,5-trimethoxybenzene-1-sulfonyl)-9H-purin-6-amine Investigative 44399994 C18H23N5O5S 421.5 CCCCN1C2=NC=NC(=C2N=C1S(=O)(=O)C3=CC(=C(C(=C3)OC)OC)OC)N IC50 = 310000 nM Non binder