HOME LIGAND hPROTEOME OTHERS DOCUMENT

P10599 | THIO_HUMAN | Thioredoxin (TXN)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL2315295 OBDepict _ O + N O N N H S S IC50 = 90.0 nM 309.42 O=[N+]([O-])c1ccc2nc(SSC3CCCCC3)[nH]c2c1 Homo sapiens CHEMBL2319792 cell-based format
CHEMBL2315297 OBDepict Cl F N N H S S IC50 = 170.0 nM 316.85 Fc1cc2nc(SSC3CCCCC3)[nH]c2cc1Cl Homo sapiens CHEMBL2319792 cell-based format
CHEMBL2315294 OBDepict O N N H S S IC50 = 240.0 nM 368.53 O=C(c1ccccc1)c1ccc2nc(SSC3CCCCC3)[nH]c2c1 Homo sapiens CHEMBL2319792 cell-based format
CHEMBL2315292 OBDepict H 2 N N N N HO N S H S IC50 = 290.0 nM 297.41 Nc1nc(O)c2[nH]c(SSC3CCCCC3)nc2n1 Homo sapiens CHEMBL2319792 cell-based format
CHEMBL2315306 OBDepict H 3 C S S N N H IC50 = 340.0 nM 210.33 CCSSc1nc2ccccc2[nH]1 Homo sapiens CHEMBL2319792 cell-based format
CHEMBL2315290 OBDepict H N S N S IC50 = 450.0 nM 290.46 c1ccc(-c2cnc(SSC3CCCCC3)[nH]2)cc1 Homo sapiens CHEMBL2319792 cell-based format
CHEMBL2315299 OBDepict S S N S IC50 = 510.0 nM 281.47 c1ccc2sc(SSC3CCCCC3)nc2c1 Homo sapiens CHEMBL2319792 cell-based format
CHEMBL2315288 OBDepict NH 2 N S N N S IC50 = 540.0 nM 306.46 Nn1c(SSC2CCCCC2)nnc1-c1ccccc1 Homo sapiens CHEMBL2319792 cell-based format