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Q10469 | MGAT2_HUMAN | "Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase" (MGAT2)

3D structures mapped by conservation among orthologs

[ Domain: "Nucleotide-diphospho-sugar transferases" // UNK_F_TYPE ]

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[ 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
CHEMBL4457459 OBDepict O N H N N F F F S N H N F O F F F IC50 = 0.2 nM 575.51 O=C1N[C@@](c2ccc(OCCCC(F)(F)F)cc2F)(C(F)(F)F)CC(c2ccc(C3CC3)s2)=C1c1nnn[nH]1 Homo sapiens CHEMBL4371681 single protein format
CHEMBL4564881 OBDepict H 3 C S N N N O H N N H F F F O F F F IC50 = 0.3 nM 571.55 CCc1ccc(-c2cc(-c3ccc(OCCCCCC(F)(F)F)cc3C(F)(F)F)[nH]c(=O)c2-c2nn[nH]n2)s1 Homo sapiens CHEMBL4371681 single protein format
CHEMBL4572662 OBDepict O N N H N O N S IC50 = 0.38 nM 500.67 O=C(CCNC1Cc2ccccc2C1)N1CCc2nc(SC3CCC3)n(-c3ccccc3)c(=O)c2C1 Homo sapiens CHEMBL4371670 single protein format
CHEMBL4577504 OBDepict O NH N N S O H N O O F F F IC50 < 1.0 nM 532.54 O=C1N[C@@]2(CCc3cc(OCCCC(F)(F)F)ccc32)CC(c2cnc(C3CC3)s2)=C1c1noc(=O)[nH]1 Homo sapiens CHEMBL4371681 single protein format
CHEMBL3981198 OBDepict CH 3 N H O N H O F F F O HO F F F IC50 = 1.0 nM 592.54 Cc1ccc(C2=C(C(=O)Nc3ccc(O)cc3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3937187 OBDepict CH 3 N H O HN O F F F O N O F F F IC50 = 1.0 nM 553.46 Cc1ccc(C2=C(C(=O)Nc3ccno3)C(=O)NC(c3ccc(OCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3581716 OBDepict H 3 C NH O N S NH O O F F IC50 = 1.0 nM 471.53 CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL4465236 OBDepict O N N H N O N O S O IC50 = 1.1 nM 532.67 O=C(CCNCC1COc2ccccc2O1)N1CCc2nc(SC3CCC3)n(-c3ccccc3)c(=O)c2C1 Homo sapiens CHEMBL4371681 single protein format
CHEMBL3581717 OBDepict F N HN S O CH 3 HN O O F F IC50 = 1.2 nM 489.52 CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccc(F)cc1)CC2 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL4469060 OBDepict F F N CH 3 H S HN O O O N N N O IC50 = 1.6 nM 517.56 C[C@H](c1cc(F)cc(F)c1)N1CCc2ccc(S(=O)(=O)Nc3nc(C(=O)N4CCCC4)no3)cc2C1 Homo sapiens CHEMBL4371681 single protein format
CHEMBL4847167 OBDepict CH 3 N H HN O O F F F O F F F IC50 = 1.9 nM 568.56 Cc1ccc(C2=C(C(=O)NC3CCCC3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL4845048 cell membrane format
CHEMBL4542050 OBDepict O N H N N F F F N S N O N F H O F F F IC50 = 2.0 nM 592.5 O=C1N[C@@](c2ccc(OCCCC(F)(F)F)cc2F)(C(F)(F)F)CC(c2ncc(C3CC3)s2)=C1n1nn[nH]c1=O Homo sapiens CHEMBL4371681 single protein format
CHEMBL3934653 OBDepict CH 3 S N N H F F F O N H O S O O CH 3 IC50 = 2.0 nM 583.7 CCCCCCCc1cnc([C@]2(C(F)(F)F)CC(c3ccc(C)cc3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)s1 Homo sapiens CHEMBL3888582 cell-based format
CHEMBL3972008 OBDepict CH 3 N H O N H O F F F O CH 3 F F F IC50 = 2.0 nM 590.56 Cc1ccc(NC(=O)C2=C(c3ccc(C)cc3)CC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)NC2=O)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3936621 OBDepict H N N N N O NH F F F F O F F F IC50 = 2.0 nM 583.51 O=C1NC(c2ccc(OCCCC(F)(F)F)cc2F)(C(F)(F)F)CC(c2ccc(CC3CC3)cc2)=C1c1nn[nH]n1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3927790 OBDepict H 3 C HN F F F O NH O N H CH 3 S O O CH 3 IC50 = 2.0 nM 513.58 CCCCCCC#CC1(C(F)(F)F)CC(c2ccc(C)cc2)=C(NC(=O)CNS(C)(=O)=O)C(=O)N1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3969017 OBDepict H 3 C H 3 C N H O N H O S O O O F F F IC50 = 2.0 nM 564.63 CCc1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@](C)(c3ccc(OCCCC(F)(F)F)cc3)C2)cc1 Homo sapiens CHEMBL3888582 cell-based format
CHEMBL3942087 OBDepict O HN S O O CH 3 O NH F F F H 3 C O IC50 = 2.0 nM 572.61 Cc1ccc(C2=C(NC(=O)CS(C)(=O)=O)C(=O)NC(c3ccc(OCc4ccccc4)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3966409 OBDepict CH 3 N H O N N F F F N N F H O F F F IC50 = 2.0 nM 557.47 Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3972745 OBDepict H N N N N O N H F F F O F F F IC50 = 2.0 nM 565.52 O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc3c(c2)CCCC3)=C1c1nn[nH]n1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3581718 OBDepict H 3 C HN O N S HN O O F F IC50 = 2.1 nM 469.51 CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2ccn(CCc3ccccc3)c12 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL3581715 OBDepict CH 3 O HN S O O HN N O H 3 C IC50 = 2.2 nM 465.58 COc1ccc(NS(=O)(=O)c2cc3c(c(NC(C)=O)c2)N(CCc2ccccc2)CC3)cc1 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL3581732 OBDepict F F NH S O O N N O N H O O IC50 = 2.2 nM 542.56 O=C1NCCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(C(=O)OCc1ccccc1)CC2 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL3581736 OBDepict F F HN S O O N N O N H HN O F F F IC50 = 2.5 nM 581.52 O=C1NCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL4863471 OBDepict CH 3 N H O N N F F F N H N F F F IC50 = 2.6 nM 523.48 Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(CCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL4845048 cell membrane format
CHEMBL4869563 OBDepict CH 3 N H O N N F F F N H N F O F F F IC50 = 2.6 nM 571.5 Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL4845048 cell membrane format
CHEMBL3912709 OBDepict H 3 C F N H F F F O N N N N H O F F IC50 = 3.0 nM 577.53 CCCCCCC#Cc1ccc(C2(C(F)(F)F)CC(c3ccc(OC(F)F)cc3)=C(c3nn[nH]n3)C(=O)N2)cc1F Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3927100 OBDepict CH 3 N H F F F O N H O N N CH 3 N H N IC50 = 3.0 nM 488.51 CCCCCCCC#CC1(C(F)(F)F)CC(c2ccc(C)cc2)=C(NC(=O)c2nnn[nH]2)C(=O)N1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3963586 OBDepict N O HN F F F O CH 3 O F F F IC50 = 3.0 nM 498.42 COc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3950805 OBDepict CH 3 N H O HN O F F F O N O CH 3 F F F IC50 = 3.0 nM 581.51 Cc1ccc(C2=C(C(=O)Nc3cc(C)no3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3970273 OBDepict CH 3 O N H N H O F F F O O N O CH 3 F F F IC50 = 3.0 nM 597.51 COc1ccc(C2=C(NC(=O)c3cc(C)no3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3925829 OBDepict H 3 C O N H F F F O N H O O O N H 3 C IC50 = 3.0 nM 529.52 CCCCOc1ccc(C2(C(F)(F)F)CC(c3ccc(OC)cc3)=C(NC(=O)c3ccno3)C(=O)N2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3581734 OBDepict F F HN S O O N N O HN O F F F IC50 = 3.1 nM 580.54 O=C1CCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL3581730 OBDepict F F HN S O O N N O N H O O IC50 = 3.4 nM 528.54 O=C1NCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(C(=O)OCc1ccccc1)CC2 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL3581735 OBDepict F F NH S O O N N O HN O CH 3 CH 3 H 3 C IC50 = 3.6 nM 568.65 CC(C)(C)c1ccc(NC(=O)N2CCc3cc(S(=O)(=O)Nc4ccc(F)cc4F)cc(N4CCCC4=O)c32)cc1 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL3581724 OBDepict H 3 C NH O N S NH O O F F IC50 = 3.7 nM 485.56 CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCCc1ccccc1)CC2 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL3545611 OBDepict CH 3 S N H O O H F F F N H H O O N IC50 = 3.8 nM 431.44 CS(=O)(=O)N[C@@H](c1ccc(CNC[C@H]2COc3cccnc3O2)cc1)C(F)(F)F Homo sapiens CHEMBL4371678 cell-based format
CHEMBL3931072 OBDepict CH 3 F N H O N N F F F N N H O F F F IC50 = 4.0 nM 543.44 Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)c(F)c1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3898522 OBDepict H 3 C O N N H O N F F F N N O F F F IC50 = 4.0 nM 541.45 COc1ccc(C2=C(n3cnnn3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3955595 OBDepict N O HN F F F O O F F F F F IC50 = 4.0 nM 534.4 N#CC1=C(c2ccc(OC(F)F)cc2)CC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3897522 OBDepict CH 3 N H O N N F F F N N H O F F F F F IC50 = 4.0 nM 575.46 Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCC(F)(F)C(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3973007 OBDepict N O NH F F F F O CH 3 O F F F IC50 = 4.0 nM 516.41 COc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)c(F)c1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3977050 OBDepict CH 3 N H N N O F F F N N H O F F F IC50 = 4.0 nM 553.51 Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL4111538 OBDepict H 3 C NH F F F O NH O S O O H 3 C H 3 C IC50 = 4.0 nM 484.54 CCCCCCC#C[C@]1(C(F)(F)F)CC(c2ccc(C)cc2)=C(C(=O)NS(C)(=O)=O)C(=O)N1 Homo sapiens CHEMBL3888582 cell-based format
CHEMBL3918163 OBDepict H 3 C NH F F F O HN O S O O O CH 3 F F IC50 = 4.0 nM 564.57 CCCCCCCC#CC1(C(F)(F)F)CC(c2ccc(OC(F)F)cc2)=C(NC(=O)CS(C)(=O)=O)C(=O)N1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3901484 OBDepict CH 3 O N O HN O O NH F F F H 3 C O F F F IC50 = 4.0 nM 597.51 COc1cc(C(=O)NC2=C(c3ccc(C)cc3)CC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)NC2=O)on1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3903831 OBDepict CH 3 N H N H O F F F O N N N H N O F F F IC50 = 4.0 nM 568.48 Cc1ccc(C2=C(NC(=O)c3nnn[nH]3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3903094 OBDepict CH 3 HN O N N F F F N N H O IC50 = 4.0 nM 483.49 Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCC4CC4)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3902676 OBDepict CH 3 N H O N H O F F F O F F F IC50 = 4.0 nM 576.54 Cc1ccc(C2=C(C(=O)Nc3ccccc3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3967083 OBDepict H 3 C O NH O O NH F F F H 3 C O F F F IC50 = 5.0 nM 578.51 COc1ccc(NC(=O)C2=C(c3ccc(C)cc3)CC(c3ccc(OCC(F)(F)F)cc3)(C(F)(F)F)NC2=O)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3943482 OBDepict CH 3 O HN N O F F F O F F F IC50 = 5.0 nM 512.45 CCOc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL4875367 OBDepict CH 3 N H O N N F F F N H N F O F F F IC50 = 5.0 nM 543.44 Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL4845048 cell membrane format
CHEMBL3907612 OBDepict H 3 C NH O O NH F F F H 3 C O F F F IC50 = 5.0 nM 514.47 CNC(=O)C1=C(c2ccc(C)cc2)CC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3966030 OBDepict CH 3 N H O N N F F F N H N O F F F IC50 = 5.0 nM 525.45 Cc1ccc(C2=C(c3nnn[nH]3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL4863703 OBDepict H 3 C NH O O NH F F F H 3 C O F F F IC50 = 5.2 nM 514.47 CNC(=O)C1=C(c2ccc(C)cc2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O Homo sapiens CHEMBL4845048 cell membrane format
CHEMBL4851952 OBDepict H 3 C S N H F F F O N N N H N CH 3 IC50 = 5.5 nM 487.55 CCCCSc1ccc([C@]2(C(F)(F)F)CC(c3ccc(C)cc3)=C(c3nnn[nH]3)C(=O)N2)cc1 Homo sapiens CHEMBL4845048 cell membrane format
CHEMBL3892111 OBDepict H 3 C N H HN O O F F F O F F F IC50 = 6.0 nM 554.53 Cc1ccc(C2=C(C(=O)NC3CCC3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3937526 OBDepict CH 3 HN F F F O N N N H CH 3 IC50 = 6.0 nM 416.45 CCCCCC#CC1(C(F)(F)F)CC(c2ccc(C)cc2)=C(c2cn[nH]n2)C(=O)N1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3957613 OBDepict F O F N N H O N F F F N N O F F F IC50 = 6.0 nM 577.43 O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc(OC(F)F)cc2)=C1n1cnnn1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3916140 OBDepict H 3 C N H O N H O F F F S O O CH 3 O F F F IC50 = 6.0 nM 578.53 Cc1ccc(C2=C(C(=O)NS(C)(=O)=O)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3888582 cell-based format
CHEMBL4878564 OBDepict CH 3 N H O N N F F F N H N O F F F IC50 = 6.1 nM 553.51 Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL4845048 cell membrane format
CHEMBL2376303 OBDepict CH 3 CH 3 N H O N H O S NH O O F F IC50 = 6.3 nM 409.41 CC[C@]1(C)NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc2NC1=O Homo sapiens CHEMBL4371681 single protein format
CHEMBL3581727 OBDepict F F HN S O O N N O IC50 = 6.7 nM 497.57 O=C1CCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL3927515 OBDepict H 3 C O N H O N N F F F N N H O F F F IC50 = 7.0 nM 513.4 COc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3932213 OBDepict H N N N N O NH F F F N CH 3 H 3 C O F F F IC50 = 7.0 nM 554.5 CN(C)c1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3978458 OBDepict CH 3 N H O N H O F F F O F IC50 = 7.0 nM 560.55 Cc1ccc(C2=C(C(=O)Nc3ccc(F)cc3)C(=O)NC(c3ccc(Oc4ccccc4)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3984454 OBDepict CH 3 N H O NH O F F F N N N N O H F F F IC50 = 7.0 nM 596.53 Cc1ccc(C2=C(C(=O)Nc3nn[nH]n3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3928233 OBDepict CH 3 HN F F F O N N N N H CH 3 IC50 = 7.0 nM 417.44 CCCCCC#CC1(C(F)(F)F)CC(c2ccc(C)cc2)=C(c2nn[nH]n2)C(=O)N1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3912712 OBDepict CH 3 N HO N N F F F N N H O F F F IC50 = 7.1 nM 525.45 Cc1ccc(C2=C(c3nn[nH]n3)C(O)=N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL4845048 cell membrane format
CHEMBL4854178 OBDepict H 3 C N H HN O O F F F O F F F IC50 = 7.3 nM 554.53 Cc1ccc(C2=C(C(=O)NC3CCC3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL4845048 cell membrane format
CHEMBL3581728 OBDepict F F NH S O O N N O IC50 = 7.3 nM 511.59 O=C1CCCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL3930463 OBDepict CH 3 N H N H O F F F O N O N O CH 3 F F F IC50 = 8.0 nM 582.5 Cc1ccc(C2=C(NC(=O)c3nnc(C)o3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3901379 OBDepict CH 3 N H O N N F F F N N F H O F F F IC50 = 8.0 nM 543.44 Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3902329 OBDepict CH 3 N H N N O F F F N N O F F F IC50 = 8.0 nM 525.45 Cc1ccc(C2=C(C3N=NN=N3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3581731 OBDepict F F NH S O O N N O O O IC50 = 10.0 nM 541.58 O=C1CCCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(C(=O)OCc1ccccc1)CC2 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL3978021 OBDepict CH 3 N H O N N F F F N N H F O F F F IC50 = 10.0 nM 543.44 Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCC(F)(F)F)c(F)c3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3893112 OBDepict CH 3 N H O NH O F F F N N N N H IC50 = 10.0 nM 522.53 Cc1ccc(C2=C(C(=O)Nc3nn[nH]n3)C(=O)NC(c3cccc(C4=CCCCC4)c3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL4872367 OBDepict CH 3 N H O N N F F F N H N F O F F F IC50 = 10.0 nM 543.44 Cc1ccc(C2=C(c3nnn[nH]3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)c(F)c3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL4845048 cell membrane format
CHEMBL3894666 OBDepict H 3 C O F N N H O N F F F N N O F F F IC50 = 10.0 nM 559.44 COc1ccc(C2=C(n3cnnn3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)c(F)c1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3981752 OBDepict H N N N N O N H F F F O F F F IC50 = 11.0 nM 561.49 O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc3ccccc3c2)=C1c1nn[nH]n1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3897628 OBDepict CH 3 N H N H O F F F O N O F F F IC50 = 11.0 nM 577.53 Cc1ccc(C2=C(NC(=O)c3cccnc3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3891440 OBDepict N O HN F F F CH 3 O CH 3 O F F F IC50 = 11.0 nM 512.45 COc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1C Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3969193 OBDepict H 3 C N H F F F O N H O CH 3 N IC50 = 11.0 nM 483.53 CCCCCCC#CC1(C(F)(F)F)CC(c2ccc(C)cc2)=C(NC(=O)c2cccnc2)C(=O)N1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3985857 OBDepict CH 3 O N H O O N H CH 3 O F F F IC50 = 12.0 nM 538.57 COc1ccc(C(=O)NC2=C(c3ccc(C)cc3)CC(c3ccc(OCCCC(F)(F)F)cc3)NC2=O)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3981365 OBDepict H N N N N O N H F F F O F F F F F F IC50 = 12.0 nM 593.45 O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc(CC(F)(F)F)cc2)=C1c1nn[nH]n1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3977537 OBDepict N F O N H F F F O H 3 C O F F F IC50 = 12.0 nM 516.41 COc1ccc(C2=C[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)NC(=O)C2(F)C#N)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3919277 OBDepict N O NH F F F H 3 C O F F F IC50 = 12.0 nM 482.42 Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3961143 OBDepict H 3 C S N H O N H O F F F S O O CH 3 O F F F IC50 = 12.0 nM 598.59 CCc1ccc(C2=C(C(=O)NS(C)(=O)=O)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)s1 Homo sapiens CHEMBL3888582 cell-based format
CHEMBL3933693 OBDepict CH 3 N H N N O F F F N N H H 3 C O F F F IC50 = 13.0 nM 567.53 Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCCCC(F)(F)F)c(C)c3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3894088 OBDepict N O HN F F F F Cl O F F F IC50 = 13.0 nM 520.83 N#CC1=C(c2ccc(Cl)c(F)c2)CC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3985062 OBDepict N O HN F F F CH 3 O IC50 = 13.0 nM 490.53 Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCc4ccccc4)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3916973 OBDepict H 3 C NH F F F O NH O H 3 C F IC50 = 13.0 nM 538.59 CCCCCc1ccc(C2(C(F)(F)F)CC(c3ccc(C)cc3)=C(C(=O)Nc3ccc(F)cc3)C(=O)N2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3581729 OBDepict O N H O N S O HN O O F F IC50 = 14.0 nM 501.51 O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1N1CCCC1=O)OCc1ccccc1 Homo sapiens CHEMBL3583803 cell-based format
CHEMBL3967950 OBDepict H N N N N O N H F F F O O F F F F F F IC50 = 14.0 nM 595.42 O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc(OC(F)(F)F)cc2)=C1c1nn[nH]n1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3969862 OBDepict CH 3 O NH F F F O NH O H 3 C F IC50 = 15.0 nM 498.48 COc1ccc(C2(C(F)(F)F)CC(c3ccc(C)cc3)=C(C(=O)Nc3ccc(F)cc3)C(=O)N2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3904214 OBDepict O HN S O O CH 3 O NH F F F H 3 C O F F F IC50 = 15.0 nM 592.56 Cc1ccc(C2=C(NC(=O)CS(C)(=O)=O)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3963774 OBDepict N O NH F F F Cl H 3 C O F F F IC50 = 15.0 nM 516.87 Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1Cl Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3892785 OBDepict N O HN F F F CH 3 O CH 3 H 3 C IC50 = 15.0 nM 442.48 Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCC(C)C)cc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3934088 OBDepict N O HN F F F O F F F IC50 = 15.0 nM 518.46 N#CC1=C(c2ccc3ccccc3c2)CC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O Homo sapiens CHEMBL3887848 cell-based format
CHEMBL3916628 OBDepict CH 3 N H O N F F F N N H IC50 = 16.0 nM 450.46 Cc1ccc(C2=C(c3cn[nH]n3)C(=O)NC(C#CCCc3ccccc3)(C(F)(F)F)C2)cc1 Homo sapiens CHEMBL3887848 cell-based format