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P30837 | AL1B1_HUMAN | "Aldehyde dehydrogenase X, mitochondrial" (ALDH1B1)

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
CHEMBL1562069 OBDepict H 3 C O O O CH 3 CH 3 IC50 = 86.0 nM 256.3 CCCc1cc(=O)oc2cc3oc(C)c(C)c3cc12 Homo sapiens CHEMBL4009335 assay format
CHEMBL4090473 OBDepict O O O CH 3 CH 3 IC50 = 95.0 nM 268.31 Cc1oc2cc3oc(=O)c4c(c3cc2c1C)CCCC4 Homo sapiens CHEMBL4009335 assay format
CHEMBL1349972 OBDepict CH 3 O CH 3 O O IC50 = 160.0 nM 254.28 Cc1oc2cc3oc(=O)c4c(c3cc2c1C)CCC4 Homo sapiens CHEMBL4009335 assay format
CHEMBL4072941 OBDepict CH 3 O O CH 3 O H 3 C H 3 C IC50 = 310.0 nM 242.27 Cc1oc2cc3oc(=O)c(C)c(C)c3cc2c1C Homo sapiens CHEMBL4009335 assay format
CHEMBL4099822 OBDepict CH 3 O O CH 3 O H 3 C H 3 C IC50 = 360.0 nM 270.33 CCCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O Homo sapiens CHEMBL4009335 assay format
CHEMBL4064364 OBDepict CH 3 O O CH 3 O H 3 C IC50 = 880.0 nM 256.3 CCCc1c(C)c2cc3c(C)coc3cc2oc1=O Homo sapiens CHEMBL4009335 assay format