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Q16739 | CEGT_HUMAN | Ceramide glucosyltransferase (UGCG)

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
CHEMBL1911817 OBDepict H 3 C N N O NH H O O N O Cl F F F IC50 = 1.0 nM 577.0 CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL1911816 OBDepict CH 3 N N O NH H O O N O H 3 C Cl IC50 = 2.0 nM 523.03 Cc1cc(Cl)ccc1Oc1ncccc1C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCN(C)CC1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL2163821 OBDepict CH 3 N N O NH O N H Cl Cl IC50 = 2.0 nM 499.44 CN1CCN(C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1 Homo sapiens CHEMBL2167350 single protein format
CHEMBL2163825 OBDepict Cl Cl NH H N O O H H NH 2 Cl Cl IC50 = 2.0 nM 555.33 NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1 Homo sapiens CHEMBL2167349 cell-based format
CHEMBL1911679 OBDepict CH 3 N H O H OH H N O O IC50 = 2.0 nM 404.55 CCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2 Homo sapiens CHEMBL1912403 cell-based format
CHEMBL1911678 OBDepict CH 3 HN O H OH H N O O IC50 = 2.0 nM 418.58 CCCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2 Homo sapiens CHEMBL1912403 cell-based format
CHEMBL1911815 OBDepict CH 3 N N O N H H O O N O Cl Cl IC50 = 2.0 nM 543.45 CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL3354637 OBDepict OH H N H OH H HO H HO O F IC50 = 2.5 nM 433.52 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(F)c1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL1911814 OBDepict CH 3 N N O N H H O O N O F Cl Cl IC50 = 3.0 nM 561.44 CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cc(F)cnc2Oc2ccc(Cl)cc2Cl)CC1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL3354022 OBDepict OH H N H OH H HO H HO O IC50 = 3.0 nM 389.49 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354035 OBDepict OH H N H OH H HO H HO O IC50 = 3.0 nM 389.49 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354635 OBDepict OH H N H OH H HO H HO O F F F IC50 = 3.0 nM 483.53 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(C(F)(F)F)c1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354037 OBDepict HO H N H HO H HO H HO O IC50 = 3.0 nM 463.57 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354634 OBDepict OH H N H OH H OH H OH O F F F IC50 = 3.0 nM 483.53 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1C(F)(F)F Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354024 OBDepict HO H N H HO H HO H HO O IC50 = 3.0 nM 463.57 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34 Homo sapiens CHEMBL3384689 single protein format
CHEMBL2163833 OBDepict CH 3 N N O NH H O Cl Cl Cl IC50 = 3.0 nM 494.85 CN1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1 Homo sapiens CHEMBL2167349 cell-based format
CHEMBL2163823 OBDepict NH 2 N O NH H O Cl Br Cl IC50 = 3.0 nM 539.3 NC1CCN(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1 Homo sapiens CHEMBL2167350 single protein format
CHEMBL2163832 OBDepict H 3 C N N O HN H O Cl Cl Cl Cl IC50 = 4.0 nM 529.3 CN1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2Cl)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1 Homo sapiens CHEMBL2167349 cell-based format
CHEMBL3354636 OBDepict HO H N H HO H OH H OH O F IC50 = 5.0 nM 433.52 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1F Homo sapiens CHEMBL3384689 single protein format
CHEMBL1911827 OBDepict CH 3 N H H N O HN H O O N O Cl F F F IC50 = 5.0 nM 577.0 CN[C@@H]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)C1 Homo sapiens CHEMBL1912403 cell-based format
CHEMBL2163829 OBDepict CH 3 N N O NH H O N H Cl Cl IC50 = 6.0 nM 499.44 CN1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1 Homo sapiens CHEMBL2167349 cell-based format
CHEMBL2163827 OBDepict NH 2 H N H O HN H O Cl Cl O F F F IC50 = 8.0 nM 570.44 NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1 Homo sapiens CHEMBL2167349 cell-based format
CHEMBL3354038 OBDepict OH H N H OH H HO H HO O IC50 = 8.0 nM 415.53 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL1087641 OBDepict CH 3 HN O H OH H N O O IC50 = 9.0 nM 418.58 CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2 Homo sapiens CHEMBL3599363 single protein format
CHEMBL1911826 OBDepict CH 3 N CH 3 H N O HN H O O N O Cl F F F IC50 = 10.0 nM 591.03 CN(C)[C@@H]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)C1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL2163839 OBDepict H 3 C N CH 3 N H 3 C O HN H O Cl Br Cl IC50 = 10.0 nM 541.32 CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1 Homo sapiens CHEMBL2167349 cell-based format
CHEMBL1911819 OBDepict H 3 C N N O NH H O O N O Cl F F F F IC50 = 13.0 nM 594.99 CN1CCN(C(=O)[C@@H](COCc2ccc(F)cc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 Homo sapiens CHEMBL1912403 cell-based format
CHEMBL2163834 OBDepict CH 3 N N O NH H O Cl Br Cl IC50 = 14.0 nM 539.3 CN1CCN(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1 Homo sapiens CHEMBL2167349 cell-based format
CHEMBL3354633 OBDepict OH H N H OH H HO H HO F F O IC50 = 15.0 nM 451.51 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL2163828 OBDepict NH 2 H N H O NH H O Br O F F F IC50 = 15.0 nM 580.45 NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(c2ccc(OC(F)(F)F)cc2)CC1 Homo sapiens CHEMBL2167349 cell-based format
CHEMBL2163824 OBDepict NH 2 N H O NH H O Cl Cl Cl Cl IC50 = 16.0 nM 543.32 NC1CCCC(NC(=O)[C@H](Cc2ccc(Cl)cc2Cl)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)C1 Homo sapiens CHEMBL2167350 single protein format
CHEMBL2110588 OBDepict CH 3 N H O H OH H N O O IC50 = 16.0 nM 404.55 CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2 Homo sapiens CHEMBL3599363 single protein format
CHEMBL2163836 OBDepict Cl Cl HN H N O O NH H CH 3 Cl Cl IC50 = 20.0 nM 529.29 C[C@@H]1CN(C(=O)[C@H](Cc2ccc(Cl)cc2Cl)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CCN1 Homo sapiens CHEMBL2167350 single protein format
CHEMBL3354632 OBDepict HO H N H HO H OH F F O H OH IC50 = 20.0 nM 451.51 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354053 OBDepict OH H N H OH H HO H HO O F F F F F F IC50 = 20.0 nM 551.52 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354052 OBDepict OH H N H OH H HO H HO O F F F IC50 = 20.0 nM 483.53 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354054 OBDepict HO H N H OH H HO H HO O O O IC50 = 25.0 nM 459.54 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccc3c(c2)OCO3)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354049 OBDepict OH H N H OH H HO H HO O F IC50 = 25.0 nM 433.52 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2cccc(F)c2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354048 OBDepict OH H N H OH H HO H HO O F IC50 = 25.0 nM 433.52 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccc(F)cc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354056 OBDepict HO H N H HO H OH H OH O O O IC50 = 25.0 nM 487.59 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccc3c(c2)OCCCO3)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354042 OBDepict CH 3 O O N H H OH HO H HO H HO IC50 = 25.0 nM 445.56 COc1ccc(-c2ccc(COCCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354624 OBDepict HO H N H HO H OH H OH O F IC50 = 25.0 nM 433.52 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1F Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354626 OBDepict OH H N H OH H OH H OH O F F F IC50 = 25.0 nM 483.53 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1C(F)(F)F Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354627 OBDepict OH H N H OH H HO H HO O F F F IC50 = 25.0 nM 483.53 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(C(F)(F)F)c1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354041 OBDepict OH H N H HO H HO H OH O CH 3 IC50 = 25.0 nM 429.56 Cc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354630 OBDepict HO H N H HO H OH H OH O IC50 = 25.0 nM 415.53 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354625 OBDepict OH H N H OH H HO H HO O F IC50 = 25.0 nM 433.52 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(F)c1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354051 OBDepict OH H N H OH H HO H HO O Cl IC50 = 25.0 nM 449.98 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354629 OBDepict OH H N H HO H HO H OH O CH 3 H IC50 = 30.0 nM 429.56 C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL1911680 OBDepict CH 3 N N O N H H O O N O Cl IC50 = 32.0 nM 509.01 CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL3354055 OBDepict OH H N H OH H HO H HO O O O IC50 = 40.0 nM 473.57 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccc3c(c2)OCCO3)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL2163826 OBDepict NH 2 H N H O HN H O Cl Br Cl IC50 = 40.0 nM 565.34 NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1 Homo sapiens CHEMBL2167349 cell-based format
CHEMBL3354628 OBDepict OH H N H HO H HO H OH O CH 3 H IC50 = 40.0 nM 429.56 C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL1911825 OBDepict H 3 C N CH 3 N O HN H O O N O Cl F F F IC50 = 40.0 nM 577.0 CN(C)C1CN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)C1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL3354046 OBDepict N O N H H HO HO H HO H HO IC50 = 50.0 nM 440.54 N#Cc1cccc(-c2ccc(COCCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc2)c1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354062 OBDepict HO H N H HO H OH H OH O IC50 = 50.0 nM 415.53 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL1911824 OBDepict H 3 C N N O NH H O O N O CH 3 Cl F F F IC50 = 50.0 nM 555.0 CN1CCN(C(=O)[C@@H](COCC2(C)CC2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL3354044 OBDepict CH 3 O O N H H OH OH H OH H OH IC50 = 50.0 nM 445.56 COc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354025 OBDepict OH H N H OH H HO H HO O IC50 = 50.0 nM 415.53 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL1911820 OBDepict CH 3 N N O N H H O O N O O N CH 3 Cl F F F IC50 = 50.0 nM 581.98 Cc1ncc(COC[C@@H](NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)C(=O)N2CCN(C)CC2)o1 Homo sapiens CHEMBL1912403 cell-based format
CHEMBL1911682 OBDepict CH 3 N N O HN H O O N O H 3 C IC50 = 53.0 nM 488.59 Cc1ccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N2CCN(C)CC2)cc1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL3354623 OBDepict OH H N H HO H HO H OH O CH 3 H IC50 = 60.0 nM 429.56 C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354621 OBDepict OH H N H OH H HO H HO F F O IC50 = 60.0 nM 451.51 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL1911828 OBDepict CH 3 N H H N O HN H O O N O Cl F F F IC50 = 65.0 nM 577.0 CN[C@H]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)C1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL3354026 OBDepict OH H N H OH H HO H HO O IC50 = 70.0 nM 345.48 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1CCCCC1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354631 OBDepict OH H N H OH H HO H HO O IC50 = 70.0 nM 415.53 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(-c2ccccc2)c1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354622 OBDepict OH H N H HO H HO H OH O CH 3 H IC50 = 70.0 nM 429.56 C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354063 OBDepict OH H N H OH H HO H HO O IC50 = 75.0 nM 415.53 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(-c2ccccc2)c1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354050 OBDepict HO H N H HO H OH H OH O F IC50 = 75.0 nM 433.52 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2F)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354032 OBDepict HO H N H HO H OH H OH O IC50 = 80.0 nM 397.56 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1C2CC3CC(C2)CC1C3 Homo sapiens CHEMBL3384689 single protein format
CHEMBL34778 OBDepict CH 3 HN O OH N O O IC50 = 90.0 nM 516.77 CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)C(O)c1ccc2c(c1)OCCO2 Homo sapiens CHEMBL682319 cell-based format
CHEMBL1911811 OBDepict CH 3 N N O N H H O O O N CH 3 Cl IC50 = 90.0 nM 523.03 Cc1ccc(C(=O)N[C@H](COCc2ccccc2)C(=O)N2CCN(C)CC2)c(Oc2ccc(Cl)cc2)n1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL34780 OBDepict CH 3 HN O OH N HO IC50 = 90.0 nM 474.73 CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)C(O)c1ccc(O)cc1 Homo sapiens CHEMBL682319 cell-based format
CHEMBL3354638 OBDepict OH H N H OH H HO H HO O IC50 = 100.0 nM 415.53 OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354039 OBDepict OH H N H HO H HO H OH O CH 3 IC50 = 100.0 nM 429.56 Cc1ccc(-c2ccc(COCCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354040 OBDepict OH H N H HO H HO H OH O CH 3 IC50 = 100.0 nM 429.56 Cc1cccc(-c2ccc(COCCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc2)c1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL1911812 OBDepict CH 3 N N O N H H O O N O Br Cl IC50 = 110.0 nM 587.9 CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cc(Br)cnc2Oc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL1911823 OBDepict CH 3 N N O N H H O O N O CH 3 H 3 C CH 3 Cl F F F IC50 = 120.0 nM 557.01 CN1CCN(C(=O)[C@@H](COCC(C)(C)C)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL2163838 OBDepict H 3 C N CH 3 N H 3 C O HN H O Cl Cl Cl Cl IC50 = 120.0 nM 531.31 CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1 Homo sapiens CHEMBL2167349 cell-based format
CHEMBL574645 OBDepict OH H N H OH H OH H HO O IC50 = 150.0 nM 397.56 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL1099879 cell-based format
CHEMBL1086996 OBDepict OH H N H OH H OH H HO O IC50 = 150.0 nM 397.56 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL1099879 cell-based format
CHEMBL3354043 OBDepict H 3 C O O N H H HO OH H OH H OH IC50 = 150.0 nM 445.56 COc1cccc(-c2ccc(COCCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc2)c1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354045 OBDepict N O N H H OH HO H HO H HO IC50 = 150.0 nM 440.54 N#Cc1ccc(-c2ccc(COCCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354060 OBDepict OH H N H OH H HO H HO O N F IC50 = 150.0 nM 434.51 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccnc(F)c2)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354047 OBDepict N O N H H HO HO H HO H HO IC50 = 150.0 nM 440.54 N#Cc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL2163835 OBDepict Cl Cl NH H N O O HN Cl Cl IC50 = 150.0 nM 515.27 O=C([C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1)N1CCNCC1 Homo sapiens CHEMBL2167350 single protein format
CHEMBL2163831 OBDepict CH 3 N N O NH H O Cl Cl IC50 = 160.0 nM 460.41 CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1 Homo sapiens CHEMBL2167350 single protein format
CHEMBL1911813 OBDepict CH 3 N N O N H H O O N O F Cl IC50 = 180.0 nM 527.0 CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cc(F)cnc2Oc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL2163837 OBDepict Cl Cl HN H N O O NH H CH 3 Cl Cl IC50 = 190.0 nM 529.29 C[C@H]1CN(C(=O)[C@H](Cc2ccc(Cl)cc2Cl)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CCN1 Homo sapiens CHEMBL2167350 single protein format
CHEMBL3354064 OBDepict OH H N H OH H HO H HO O N IC50 = 200.0 nM 416.52 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cn1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354034 OBDepict OH H N H OH H HO H HO O IC50 = 200.0 nM 339.43 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1 Homo sapiens CHEMBL3384689 single protein format
CHEMBL1911685 OBDepict CH 3 N N O N H H O O N O F F IC50 = 230.0 nM 510.54 CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(F)cc2F)CC1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL3354029 OBDepict OH H N H OH H OH H HO O IC50 = 250.0 nM 411.58 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOCC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL3384689 single protein format
CHEMBL2163822 OBDepict HO N O HN H O Cl Br Cl IC50 = 260.0 nM 540.29 O=C([C@H](Cc1ccc(Br)cc1)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1)N1CCC(O)CC1 Homo sapiens CHEMBL2167350 single protein format
CHEMBL1911821 OBDepict H 3 C N N O NH H O O N O N Cl F F F IC50 = 275.0 nM 577.99 CN1CCN(C(=O)[C@@H](COCc2ccncc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL1911684 OBDepict CH 3 N N O N H H O O N O F IC50 = 300.0 nM 492.55 CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(F)cc2)CC1 Homo sapiens CHEMBL1912402 single protein format
CHEMBL3354016 OBDepict OH H N H OH H OH H HO O IC50 = 300.0 nM 411.58 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOCC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL3384689 single protein format
CHEMBL3354019 OBDepict HO H N H HO H OH H OH O IC50 = 300.0 nM 397.56 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1C2CC3CC(C2)CC1C3 Homo sapiens CHEMBL3384689 single protein format
CHEMBL2163830 OBDepict H 3 C N N O N H H O O Cl Cl IC50 = 330.0 nM 490.43 CN1CCN(C(=O)[C@H](COCc2ccccc2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1 Homo sapiens CHEMBL2167349 cell-based format
CHEMBL1911686 OBDepict CH 3 N N O N H H O O N O Cl Cl IC50 = 340.0 nM 543.45 CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2c(Cl)cccc2Cl)CC1 Homo sapiens CHEMBL1912402 single protein format