HOME LIGAND hPROTEOME OTHERS DOCUMENT

P04114 | APOB_HUMAN | Apolipoprotein B-100 (APOB)

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
CHEMBL142450 OBDepict H 3 C O N H O H N H O CH 3 F F F IC50 = 0.7 nM 468.48 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL336873 OBDepict O N H H 3 C H N H F F F S O O S IC50 = 0.9 nM 556.63 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NS(=O)(=O)c2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL139834 OBDepict CH 3 H 3 C N H O F F F H N H S O O S IC50 = 1.0 nM 570.66 Cc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@H](NS(=O)(=O)c2cccs2)C3)c1 Homo sapiens CHEMBL824105 assay format
CHEMBL143284 OBDepict CH 3 O N H O H N H O H 3 C CH 3 F F F IC50 = 1.1 nM 482.5 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL344814 OBDepict F CH 3 N H O HN S O O IC50 = 1.2 nM 500.6 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)c1-c1ccc(F)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL357886 OBDepict O N H HN F F F S O O IC50 = 1.3 nM 536.58 O=C(Nc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL356091 OBDepict F CH 3 N H O HN S O O S IC50 = 1.4 nM 506.62 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2cccs2)C3)c1-c1ccc(F)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL142975 OBDepict CH 3 O N H O N H O CH 3 F F F IC50 = 1.6 nM 496.53 COC(=O)NC1CCc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2CC1 Homo sapiens CHEMBL824105 assay format
CHEMBL142272 OBDepict O N H CH 3 F F F HN S O O S IC50 = 1.6 nM 584.69 Cc1cccc(C(=O)Nc2ccc3c(c2)CCC(NS(=O)(=O)c2cccs2)CC3)c1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL142972 OBDepict O N H CH 3 H N H F F F N IC50 = 1.7 nM 501.55 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccccn2)C3)c1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL422295 OBDepict CH 3 O N O N H N H O CH 3 F F F IC50 = 1.8 nM 537.58 COC(=O)N1CCN([C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)CC1 Homo sapiens CHEMBL824105 assay format
CHEMBL142928 OBDepict H 3 C O N H O H N H O F F F F F F IC50 = 1.8 nM 522.44 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C(F)(F)F)c3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL359428 OBDepict O N H H 3 C H N H F F F S O O CH 3 IC50 = 1.8 nM 488.53 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](NS(C)(=O)=O)C3)c1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL139992 OBDepict CH 3 O N H O H N H O F F F IC50 = 1.9 nM 454.45 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL143626 OBDepict O N H CH 3 F F F N H S O O S IC50 = 1.9 nM 570.66 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(CNS(=O)(=O)c2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL343406 OBDepict H 3 C O N H O Cl HN S O O IC50 = 2.0 nM 533.05 COc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL356126 OBDepict CH 3 O N H O N H O CH 3 Cl IC50 = 2.0 nM 462.98 COC(=O)NC1CCc2ccc(NC(=O)c3cccc(C)c3-c3ccc(Cl)cc3)cc2CC1 Homo sapiens CHEMBL824105 assay format
CHEMBL142733 OBDepict CH 3 O N H O N H O H 3 C CH 3 F F F IC50 = 2.2 nM 496.53 COC(=O)NCC1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL143514 OBDepict CH 3 O N H O H N H O H 3 C F F F IC50 = 2.2 nM 468.48 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cc(C)ccc3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL343874 OBDepict O N H CH 3 F F F HN S O O H 3 C IC50 = 2.3 nM 516.59 Cc1cccc(C(=O)Nc2ccc3c(c2)CCC(NS(C)(=O)=O)CC3)c1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL341974 OBDepict CH 3 O N H O N H O H 3 C CH 3 F F F IC50 = 2.4 nM 510.56 COC(=O)NC1CCc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(C(F)(F)F)cc3)cc2CC1 Homo sapiens CHEMBL824105 assay format
CHEMBL140754 OBDepict Cl CH 3 N H O HN S O O IC50 = 2.4 nM 517.05 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL344439 OBDepict CH 3 CH 3 N H O HN S O O IC50 = 2.5 nM 496.63 Cc1ccc(-c2c(C)cccc2C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL358141 OBDepict CH 3 O N H O H N H O H 3 C CH 3 F F F IC50 = 2.5 nM 482.5 COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL344849 OBDepict CH 3 H 3 C N H O F F F H N H S O O S IC50 = 2.6 nM 570.66 Cc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@@H](NS(=O)(=O)c2cccs2)C3)c1 Homo sapiens CHEMBL824105 assay format
CHEMBL423194 OBDepict Cl CH 3 N H O HN S O O S IC50 = 3.0 nM 523.08 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2cccs2)C3)c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL343837 OBDepict CH 3 O N H O N H O H 3 C CH 3 Cl IC50 = 3.4 nM 448.95 COC(=O)NC1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(Cl)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL142332 OBDepict H 3 C O NH O N H O CH 3 F F F IC50 = 4.1 nM 482.5 COC(=O)NCC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL141014 OBDepict Cl CH 3 NH O N H S O O CH 3 IC50 = 5.0 nM 483.03 Cc1cccc(C(=O)Nc2ccc3c(c2)CCC(NS(C)(=O)=O)CC3)c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL142731 OBDepict CH 3 O N H O H N H O F F F IC50 = 5.2 nM 454.45 COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL141036 OBDepict N CH 3 N H O HN S O O IC50 = 5.5 nM 507.62 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)c1-c1ccc(C#N)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL423915 OBDepict H 3 C O N H O H N H O CH 3 F F F IC50 = 6.4 nM 468.48 COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL359248 OBDepict O N H H 3 C F F F HN S O O H 3 C IC50 = 6.5 nM 502.56 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(CNS(C)(=O)=O)C3)c1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL412375 OBDepict Cl CH 3 N H O HN S O O H 3 C IC50 = 6.6 nM 454.98 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(C)(=O)=O)C3)c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL356937 OBDepict H 3 C O N H O H N H O F F F F F F IC50 = 7.5 nM 522.45 COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL143821 OBDepict F CH 3 N H O HN S O O H 3 C IC50 = 8.3 nM 438.52 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(C)(=O)=O)C3)c1-c1ccc(F)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL358538 OBDepict CH 3 O N H O N H O CH 3 Cl IC50 = 8.7 nM 448.95 COC(=O)NCC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(Cl)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL142763 OBDepict O N H H 3 C H N H F F F S O O CH 3 IC50 = 8.8 nM 488.53 Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NS(C)(=O)=O)C3)c1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL344801 OBDepict CH 3 O N H O N H O CH 3 F F F IC50 = 10.0 nM 496.53 COC(=O)NCCC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL143535 OBDepict O N H HN S O O IC50 = 12.0 nM 468.58 O=C(Nc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)C2)c1ccccc1-c1ccccc1 Homo sapiens CHEMBL824105 assay format
CHEMBL141881 OBDepict CH 3 O N H O Cl HN S O O H 3 C IC50 = 15.0 nM 470.98 COc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(C)(=O)=O)C3)c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL142616 OBDepict Cl H 3 C N H O N H S O O CH 3 IC50 = 16.0 nM 469.01 Cc1cccc(C(=O)Nc2ccc3c(c2)CC(CNS(C)(=O)=O)C3)c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL434703 OBDepict O N H H NH F F F S O O IC50 = 42.0 nM 536.58 O=C(Nc1ccc2c(c1)C[C@@H](NS(=O)(=O)c1ccccc1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL824105 assay format
CHEMBL358768 OBDepict CH 3 O N O N H N H O CH 3 F F F IC50 = 43.0 nM 537.58 COC(=O)N1CCN([C@@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)CC1 Homo sapiens CHEMBL824105 assay format
CHEMBL140786 OBDepict O N H HN F F F S O O CH 3 IC50 = 60.0 nM 474.5 CS(=O)(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL143647 OBDepict O N N H H 3 C CH 3 N H O F F F IC50 = 120.0 nM 467.49 CN(C)C(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL143610 OBDepict CH 3 N H O N H O F F F IC50 = 120.0 nM 438.45 CC(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 Homo sapiens CHEMBL824105 assay format
CHEMBL143684 OBDepict O N H N H F F F O IC50 = 270.0 nM 500.52 O=C(NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1)c1ccccc1 Homo sapiens CHEMBL824105 assay format
CHEMBL142519 OBDepict O N H NH F F F IC50 = 340.0 nM 486.54 O=C(Nc1ccc2c(c1)CC(NCc1ccccc1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL824105 assay format