HOME LIGAND hPROTEOME OTHERS DOCUMENT

P46531 | NOTC1_HUMAN | Neurogenic locus notch homolog protein 1 (NOTCH1)

3D structures mapped by conservation among orthologs

[ Domain: "Lin12/Notch repeat" // Notch ]

download pymol session

[ Domain: "Ankyrin repeat" // Ank_2 "Lin12/Notch repeat" // Notch ]

download pymol session

[ Domain: "Notch heterodimerization domain" // NOD ]

download pymol session

[ Domain: "EGF/Laminin" // hEGF_2 ]

download pymol session

[ Domain: "EGF/Laminin" // hEGF_3 ]

download pymol session

[ Domain: "EGF/Laminin" // hEGF_1 ]

download pymol session

[ Domain: "EGF/Laminin" // EGF_CA_2 ]

download pymol session

[ Domain: pdbs with more than 2 multi-domains ]

download pymol session



[ 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
CHEMBL3410169 OBDepict F F H H O H 2 N N H O H N F F F O N CH 3 IC50 = 1.0 nM 572.53 CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2F)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL3412050 cell-based format
CHEMBL3410153 OBDepict H 3 C H H 3 C H O NH 2 HN O H N F F F O N CH 3 IC50 = 1.0 nM 530.59 CCC(CC)[C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O Homo sapiens CHEMBL3412050 cell-based format
CHEMBL3922868 OBDepict O NH H H H N O NH 2 O HN F F F F F F IC50 = 1.4 nM 582.55 NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(C3CC3)c2NC1=O Homo sapiens CHEMBL3888075 single protein format
CHEMBL4109925 OBDepict H 3 C N H N H HN O Cl O H H O NH 2 F F F F F IC50 = 1.7 nM 599.0 Cc1cccc(C2=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC3CC(F)(F)C3)C(N)=O)C(=O)Nc3c(Cl)cccc32)c1 Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3410170 OBDepict F F H H O NH 2 N H O H N F F F O N H 3 C IC50 = 2.0 nM 572.53 CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cc(F)cc(F)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL3412050 cell-based format
CHEMBL3410168 OBDepict F F H H O H 2 N N H O H N F F F O N CH 3 IC50 = 2.0 nM 572.53 CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)c(F)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL3412050 cell-based format
CHEMBL3410167 OBDepict F H H O H 2 N NH O H N F F F O N H 3 C IC50 = 2.0 nM 554.54 CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL3412050 cell-based format
CHEMBL3410151 OBDepict CH 3 H CH 3 H O H 2 N N H O CH 3 CH 3 H N O N H 3 C IC50 = 2.0 nM 490.65 CCC(CC)[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O Homo sapiens CHEMBL3412050 cell-based format
CHEMBL4114579 OBDepict H 3 C N H N H HN O F O H H O NH 2 F F F F F IC50 = 2.1 nM 582.55 Cc1cccc(C2=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC3CC(F)(F)C3)C(N)=O)C(=O)Nc3c(F)cccc32)c1 Homo sapiens CHEMBL3888936 cell-based format
CHEMBL4111709 OBDepict O HN H N HN O H H O NH 2 F F CH 3 F F F IC50 = 2.7 nM 524.49 CC(F)(F)C[C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3984170 OBDepict CH 3 N H N H HN O O H H O H 2 N F F F F F F IC50 = 2.8 nM 556.51 Cc1ccccc1C1=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C(=O)Nc2ccccc21 Homo sapiens CHEMBL3888075 single protein format
CHEMBL4114126 OBDepict Cl N H O N H HN O H H O NH 2 F F F F F IC50 = 2.8 nM 584.97 NC(=O)[C@@H](CC1CC(F)(F)C1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(Cl)c2NC1=O Homo sapiens CHEMBL3888936 cell-based format
CHEMBL4112577 OBDepict H 3 C O HN O N H N H O H H O NH 2 F F F F F IC50 = 2.9 nM 580.55 COc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC1CC(F)(F)C1)C(N)=O)N=C2c1ccccc1 Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3921166 OBDepict F NH O N H NH O H H O H 2 N CH 3 H F F F F F F IC50 = 2.9 nM 574.5 C[C@@H](C[C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O)C(F)(F)F Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3410160 OBDepict CH 3 N O H N NH O H H O H 2 N O CH 3 N F F F IC50 = 3.0 nM 541.53 Cc1nocc1[C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O Homo sapiens CHEMBL3412050 cell-based format
CHEMBL3410152 OBDepict CH 3 H CH 3 H O H 2 N NH O CH 3 CH 3 CH 3 H N O N H 3 C IC50 = 3.0 nM 504.68 CCC(CC)[C@H](C(N)=O)[C@@H](CC(C)(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O Homo sapiens CHEMBL3412050 cell-based format
CHEMBL4111904 OBDepict H 3 C HN O N H N H O H H O NH 2 F F F F F IC50 = 3.0 nM 564.56 Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC1CC(F)(F)C1)C(N)=O)N=C2c1ccccc1 Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3410162 OBDepict CH 3 H H O H 2 N N H O H N F F F O N CH 3 IC50 = 3.0 nM 550.58 Cc1cccc([C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL3412050 cell-based format
CHEMBL3984723 OBDepict CH 3 N H N H NH O O CH 3 CH 3 H H O NH 2 F F F F F F IC50 = 3.0 nM 598.59 Cc1cccc(C2=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C(=O)Nc3c2cccc3C(C)C)c1 Homo sapiens CHEMBL3888075 single protein format
CHEMBL3938447 OBDepict F N H NH NH O CH 3 O H H O H 2 N F F F F F F IC50 = 3.1 nM 574.5 Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1ccc(F)cc1 Homo sapiens CHEMBL3888075 single protein format
CHEMBL4108896 OBDepict Cl NH O N H NH O H H O H 2 N CH 3 H F F F F F F IC50 = 3.2 nM 590.95 C[C@H](C[C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(Cl)c2NC1=O)C(F)(F)F Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3919904 OBDepict CH 3 N H N H HN O Cl O H H O H 2 N F F F F F F IC50 = 3.3 nM 590.95 Cc1ccccc1C1=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C(=O)Nc2c(Cl)cccc21 Homo sapiens CHEMBL3888075 single protein format
CHEMBL3983707 OBDepict CH 3 CH 3 NH O N H N H O H H O NH 2 F F F F F F IC50 = 3.4 nM 584.56 CC(C)c1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1ccccc1 Homo sapiens CHEMBL3888075 single protein format
CHEMBL4107767 OBDepict F N H NH NH O CH 3 O H H O NH 2 F F F F F IC50 = 3.5 nM 582.55 Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC1CC(F)(F)C1)C(N)=O)N=C2c1cccc(F)c1 Homo sapiens CHEMBL3888936 cell-based format
CHEMBL4107530 OBDepict CH 3 N H O N H N H O H H O H 2 N F F F F IC50 = 3.8 nM 546.57 Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC1(F)CCC1)C(N)=O)N=C2c1ccccc1 Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3895390 OBDepict CH 3 O NH O N H N H O H 3 C H H O NH 2 F F F F F F IC50 = 3.9 nM 586.53 COc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1cccc(C)c1 Homo sapiens CHEMBL3888075 single protein format
CHEMBL3935675 OBDepict Cl NH O N H NH O H H O NH 2 F F F F F CH 3 IC50 = 3.9 nM 572.96 CC(F)(F)CC[C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(Cl)c2NC1=O Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3410161 OBDepict H 3 C N O H N N H O H H O NH 2 F F F IC50 = 4.0 nM 536.55 CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccccc2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL3412050 cell-based format
CHEMBL3960841 OBDepict OH N H N H HN O O H H O NH 2 F F F F F F IC50 = 4.3 nM 572.51 NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccc(CO)cc2)c2ccccc2NC1=O Homo sapiens CHEMBL3888075 single protein format
CHEMBL3891599 OBDepict Cl N H HN HN O H 3 C O H H O H 2 N F F F F F F IC50 = 4.4 nM 590.95 Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1cccc(Cl)c1 Homo sapiens CHEMBL3888075 single protein format
CHEMBL4107070 OBDepict O N H H N N H O H H O NH 2 F F F F F IC50 = 4.4 nM 550.53 NC(=O)[C@@H](CC1CC(F)(F)C1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O Homo sapiens CHEMBL3888936 cell-based format
CHEMBL4112450 OBDepict Cl HN O N H HN O H H O NH 2 F F F F F IC50 = 4.4 nM 599.0 NC(=O)[C@@H](C1CCC(F)(F)CC1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(Cl)c2NC1=O Homo sapiens CHEMBL3888936 cell-based format
CHEMBL4111071 OBDepict F N H O N H HN O H H O NH 2 F F F F F IC50 = 4.5 nM 568.52 NC(=O)[C@@H](CC1CC(F)(F)C1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3950601 OBDepict CH 3 NH O N H N H O H H O NH 2 F F F F F F IC50 = 4.7 nM 556.51 Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1ccccc1 Homo sapiens CHEMBL3888075 single protein format
CHEMBL3944272 OBDepict CH 3 N H N H HN O Cl O H H O H 2 N F F F F F F IC50 = 4.8 nM 590.95 Cc1cccc(C2=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C(=O)Nc3c(Cl)cccc32)c1 Homo sapiens CHEMBL3888075 single protein format
CHEMBL3985392 OBDepict O HN H H H N O H 2 N O NH F F F F F F O IC50 = 4.8 nM 598.54 NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(OC3CC3)c2NC1=O Homo sapiens CHEMBL3888075 single protein format
CHEMBL3974604 OBDepict CH 3 H H O NH 2 N H O H 3 C CH 3 H N O N CH 3 Cl IC50 = 5.1 nM 511.07 CCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccc(Cl)cc2)c2ccccc2N(C)C1=O Homo sapiens CHEMBL3888076 cell-based format
CHEMBL3896414 OBDepict Cl NH O N H NH O H H O H 2 N CH 3 H F F F F F F IC50 = 5.1 nM 590.95 C[C@@H](C[C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(Cl)c2NC1=O)C(F)(F)F Homo sapiens CHEMBL3888936 cell-based format
CHEMBL4106629 OBDepict O N H H H H N O NH 2 O N H F F F F F IC50 = 5.6 nM 590.59 NC(=O)[C@@H](CC1CC(F)(F)C1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(C3CC3)c2NC1=O Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3958560 OBDepict F H H O NH 2 HN O H N F F F O HN O CH 3 IC50 = 5.8 nM 536.53 COc1ccc2c(c1)NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCCF)C(N)=O)N=C2c1ccccc1 Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3903119 OBDepict HO HN O N H HN O F H H O NH 2 F F F F F F IC50 = 6.2 nM 590.5 NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2cccc(F)c2)c2cccc(CO)c2NC1=O Homo sapiens CHEMBL3888075 single protein format
CHEMBL3955547 OBDepict CH 3 N H N H HN O O H H O H 2 N F F F F F F IC50 = 6.4 nM 556.51 Cc1cccc(C2=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C(=O)Nc3ccccc32)c1 Homo sapiens CHEMBL3888075 single protein format
CHEMBL4115546 OBDepict H 3 C O N H O N H N H O H H O H 2 N F F F F F IC50 = 7.0 nM 594.58 COc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)C1CCC(F)(F)CC1)N=C2c1ccccc1 Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3975558 OBDepict F H H O NH 2 HN O H N F F F O HN O H 2 N IC50 = 7.0 nM 537.51 NOc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCCF)C(N)=O)N=C2c1ccccc1 Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3985584 OBDepict CH 3 NH O N H N H O H 3 C H H O NH 2 F F F F F F IC50 = 7.2 nM 584.56 CCc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1cccc(C)c1 Homo sapiens CHEMBL3888075 single protein format
CHEMBL3890931 OBDepict CH 3 O NH O N H N H O H H O NH 2 F F F F F CH 3 IC50 = 7.5 nM 568.54 COc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(C)(F)F)C(N)=O)N=C2c1ccccc1 Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3911164 OBDepict F N H HN HN O H 3 C O H H O H 2 N F F F F F F IC50 = 7.8 nM 574.5 Cc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1cccc(F)c1 Homo sapiens CHEMBL3888075 single protein format
CHEMBL3410166 OBDepict H 3 C O H H O NH 2 N H O H N F F F O N H 3 C IC50 = 9.0 nM 566.58 COc1ccc([C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 Homo sapiens CHEMBL3412050 cell-based format
CHEMBL3956533 OBDepict F H H O NH 2 HN O H N F F F O NH Cl IC50 = 10.8 nM 540.95 NC(=O)[C@@H](CCCF)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(Cl)c2NC1=O Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3971963 OBDepict CH 3 N H N H HN O O H H O H 2 N F F F F F F IC50 = 12.2 nM 556.51 Cc1ccc(C2=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C(=O)Nc3ccccc32)cc1 Homo sapiens CHEMBL3888075 single protein format
CHEMBL3957276 OBDepict CH 3 N O H N NH O H H O H 2 N H 3 C CH 3 CH 2 IC50 = 12.3 nM 488.63 C=CC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CCC)C1=O Homo sapiens CHEMBL3888076 cell-based format
CHEMBL3410154 OBDepict H 3 C H H O NH 2 N H O F F F H N O N CH 3 IC50 = 13.0 nM 488.51 CCC[C@H](C(N)=O)[C@@H](CC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O Homo sapiens CHEMBL3412050 cell-based format
CHEMBL4113103 OBDepict O N H H N N H O H H O H 2 N F F F F F IC50 = 14.0 nM 536.5 NC(=O)[C@@H](C1CC(F)(F)C1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O Homo sapiens CHEMBL3888936 cell-based format
CHEMBL3410157 OBDepict O N H H N NH O H H O H 2 N O N F F F IC50 = 32.0 nM 513.48 NC(=O)[C@@H](c1cnoc1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O Homo sapiens CHEMBL3412050 cell-based format
CHEMBL3945182 OBDepict H 2 C H H O NH 2 N H O H 3 C H 3 C H N O N CH 3 Cl IC50 = 42.4 nM 495.02 C=CC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O Homo sapiens CHEMBL3888076 cell-based format
CHEMBL3410159 OBDepict H 3 C O N H H O NH 2 N H O H N F F F O N H 3 C IC50 = 54.0 nM 541.53 Cc1cc([C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)no1 Homo sapiens CHEMBL3412050 cell-based format
CHEMBL429441 OBDepict H 3 C H H O NH 2 N H O H 3 C H 3 C H N O N CH 3 IC50 = 64.1 nM 462.59 CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O Homo sapiens CHEMBL3888076 cell-based format
CHEMBL4286623 OBDepict Br H O O H 3 C N H O CH 3 CH 3 N O O H 3 C H 3 C CH 3 IC50 = 130.0 nM 587.56 CC1=C(C(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 Homo sapiens CHEMBL4267500 cell-based format
CHEMBL3410158 OBDepict H 3 C O N N H H O NH 2 N H O H N F F F O N H 3 C IC50 = 169.0 nM 542.52 Cc1nc([C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)no1 Homo sapiens CHEMBL3412050 cell-based format
CHEMBL4288274 OBDepict N O O H 3 C HN O CH 3 H 3 C N O O H 3 C CH 3 H 3 C IC50 = 220.0 nM 533.67 CC1=C(C(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)C(c2cccc(C#N)c2)C2=C(CC(C)(C)CC2=O)N1 Homo sapiens CHEMBL4267500 cell-based format
CHEMBL3410156 OBDepict O N H H N NH O H H N O H 2 N O F F F IC50 = 231.0 nM 513.48 NC(=O)[C@@H](c1cocn1)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O Homo sapiens CHEMBL3412050 cell-based format
CHEMBL445086 OBDepict O H H H O H H O OH OH CH 3 H O H O H O CH 3 H CH 3 O O IC50 = 300.0 nM 574.67 CC(=O)O[C@H]1C[C@@H](C)O[C@H]2O[C@@H]3C[C@@H]4CC[C@@H]5[C@H](CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C=O)C[C@H]3O[C@@]12O Homo sapiens CHEMBL4132673 cell-based format
CHEMBL4282180 OBDepict O N O H 3 C H 3 C CH 3 O O H 3 C HN N O CH 3 H 3 C IC50 = 330.0 nM 559.71 CC1=C(C(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)C(c2ccc3ccccc3n2)C2=C(CC(C)(C)CC2=O)N1 Homo sapiens CHEMBL4267500 cell-based format
CHEMBL4288289 OBDepict Br O O CH 3 N H O H 3 C H 3 C N O O CH 3 CH 3 CH 3 IC50 = 360.0 nM 587.56 CC1=C(C(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)C(c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 Homo sapiens CHEMBL4267500 cell-based format
CHEMBL500585 OBDepict O H H H O H H O OH HO H 3 C H O S N H H CH 3 O O IC50 = 400.0 nM 587.74 C[C@@H]1C[C@@]2(N=CCS2)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1 Homo sapiens CHEMBL4132673 cell-based format
CHEMBL4286267 OBDepict Cl Cl O O H 3 C N H O CH 3 CH 3 N O O H 3 C H 3 C CH 3 IC50 = 640.0 nM 577.55 CC1=C(C(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)C(c2cc(Cl)cc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 Homo sapiens CHEMBL4267500 cell-based format
CHEMBL4290058 OBDepict O N O H 3 C H 3 C CH 3 O O H 3 C HN O CH 3 H 3 C F F F IC50 = 760.0 nM 576.66 CC1=C(C(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)C(c2cccc(C(F)(F)F)c2)C2=C(CC(C)(C)CC2=O)N1 Homo sapiens CHEMBL4267500 cell-based format
CHEMBL495949 OBDepict O H H H O H H O OH OH CH 3 H OH H O H H H 3 C O O IC50 = 800.0 nM 532.63 C[C@@H]1C[C@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1 Homo sapiens CHEMBL4132673 cell-based format
CHEMBL4292016 OBDepict Br O O H 3 C HN O CH 3 H 3 C N N IC50 = 860.0 nM 482.38 CC1=C(C(=O)OCc2cnccn2)C(c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 Homo sapiens CHEMBL4267500 cell-based format