TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T85309 Cystathionine beta-synthase B0NS2W 5-Benzylidene-2-thiohydantoin Investigative 1396823 C10H8N2OS 204.25 C1=CC=C(C=C1)/C=C\\2/C(=O)NC(=S)N2 IC50 = 170000 nM Poor binder T85309 Cystathionine beta-synthase B2FIO8 2-Thioxo-5-[(Z)-3-methoxy-4-acetoxybenzylidene]imidazolidine-4-one Investigative 21604873 C13H12N2O4S 292.31 CC(=O)OC1=C(C=C(C=C1)/C=C\\2/C(=O)NC(=S)N2)OC IC50 = 83000 nM Poor binder T85309 Cystathionine beta-synthase B4QA9O (5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one Investigative 2246840 C11H10N2O3S 250.28 COC1=C(C=CC(=C1)/C=C\\2/C(=O)NC(=S)N2)O IC50 = 187000 nM Poor binder T85309 Cystathionine beta-synthase B74SEI (5Z)-5-[(3,4-Dihydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one Investigative 7032560 C10H8N2O3S 236.25 C1=CC(=C(C=C1/C=C\\2/C(=O)NC(=S)N2)O)O IC50 = 125000 nM Poor binder T85309 Cystathionine beta-synthase BBW36C (5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one Investigative 118729943 C13H14N2O3S 278.33 CN1C(=O)/C(=C/C2=CC(=C(C=C2)O)OC)/N=C1SC IC50 = 87000 nM Poor binder T85309 Cystathionine beta-synthase BGK4T6 Rubrolide A Investigative 6055630 C17H8Br4O4 595.9 C1=C(C=C(C(=C1Br)O)Br)/C=C\\2/C(=CC(=O)O2)C3=CC(=C(C(=C3)Br)O)Br IC50 = 108000 nM Poor binder T85309 Cystathionine beta-synthase BSE0G5 Sodium;[(1S)-1-methyl-12,17-dioxo-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,5,7,9,13(20),15-heptaen-5-yl] sulfate Investigative 118729944 C20H13NaO7S 420.4 C[C@@]12CCC(=O)C3=COC(=C31)C(=O)C4=C2C=C5C(=C4)C=CC=C5OS(=O)(=O)[O-].[Na+] IC50 = 136000 nM Poor binder T85309 Cystathionine beta-synthase D0I4NN 4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide Investigative 14056555 C5H4Br2N2O 267.91 C1=C(NC(=C1Br)Br)C(=O)N IC50 = 156000 nM Poor binder