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O00400 | ACATN_HUMAN | Acetyl-coenzyme A transporter 1 (SLC33A1)

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
CHEMBL3648555 OBDepict CH 3 N N O N N F H H OH N N H O O IC50 = 0.8 nM 544.59 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n([C@H]2CC[C@H](O)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648538 OBDepict H 3 C N N O N N CH 3 F O N N H O O IC50 = 0.9 nM 558.61 CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n(C2CCOCC2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648544 OBDepict CH 3 N N O N N OH N N H O O IC50 = 1.0 nM 540.62 CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC(O)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648553 OBDepict CH 3 N N O N N H H O N N H O OH O IC50 = 1.0 nM 570.65 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OCCO)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648629 OBDepict CH 3 N N O N N OH H 3 C H 3 C N N H O O IC50 = 1.2 nM 568.68 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC(C(C)(C)O)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648532 OBDepict H 3 C N N O N N F O N N H O O IC50 = 1.3 nM 530.56 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n(C2CCOCC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648551 OBDepict CH 3 N N O N N O H 3 C N N H O O IC50 = 1.3 nM 540.62 CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCOC(C)C2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648554 OBDepict CH 3 N N O N N F H H OH N N H O O IC50 = 1.3 nM 544.59 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n([C@H]2CC[C@@H](O)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648541 OBDepict H 3 C N N O N N H H CH 3 O H H 3 C N N H O O IC50 = 1.3 nM 554.65 CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2C[C@H](C)O[C@H](C)C2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648511 OBDepict CH 3 N N O N N CH 3 CH 3 H 3 C CH 3 N N H O O IC50 = 1.3 nM 512.61 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(CC(C)(C)C)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648539 OBDepict CH 3 N N O N N CH 3 F O CH 3 CH 3 N N H O O IC50 = 1.3 nM 572.64 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n(C2CCOC(C)(C)C2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648537 OBDepict CH 3 N N O N N O H 3 C H 3 C N N H O O IC50 = 1.3 nM 554.65 CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCOC(C)(C)C2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648540 OBDepict H 3 C N N O N N CH 3 O CH 3 CH 3 N N H O O IC50 = 1.4 nM 568.68 CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCOC(C)(C)C2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648546 OBDepict CH 3 N N O N N H O N N H O O IC50 = 1.4 nM 566.66 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@]3(CCCO3)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648543 OBDepict CH 3 N N O N N CH 3 O CH 3 N N H O O IC50 = 1.4 nM 540.62 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC(C)OC2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648557 OBDepict CH 3 N N O N N H H O N N N N H O H 3 C O IC50 = 1.4 nM 592.66 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](c3nc(C)no3)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648522 OBDepict CH 3 N N O N N H 3 C CH 3 N N H O O IC50 = 1.4 nM 510.6 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(CC2(C)CC2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648556 OBDepict CH 3 N N O N N H H O O N N H O CH 3 O IC50 = 1.4 nM 582.66 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](C(=O)OCC)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648530 OBDepict H 3 C N N O N N CH 3 F S N N H O O IC50 = 1.5 nM 560.66 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n(C2CCSCC2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648528 OBDepict H 3 C N N O N N CH 3 F O N N H O O IC50 = 1.5 nM 544.59 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n(C2CCOCC2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648523 OBDepict CH 3 N N O N N CH 3 CH 3 H 3 C O CH 3 N N H O O IC50 = 1.5 nM 542.64 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(CC(C)(C)COC)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648526 OBDepict CH 3 N N O N N CH 3 N N H O O IC50 = 1.5 nM 496.57 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648547 OBDepict CH 3 N N O N N H O N N H O O IC50 = 1.6 nM 566.66 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@@]3(CCCO3)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648569 OBDepict CH 3 N N O N N N N OH H O O IC50 = 1.6 nM 552.64 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC(=CCO)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648638 OBDepict CH 3 N N O N H H O N N H O OH H 3 C H 3 C O IC50 = 1.6 nM 597.72 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OCC(C)(C)O)CC2)c2ccnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648552 OBDepict CH 3 N N O N N H H O N N H O OH O IC50 = 1.6 nM 570.65 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@@H](OCCO)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648521 OBDepict CH 3 N N O N N H 3 C CH 3 CH 3 N N H O O IC50 = 1.7 nM 498.59 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C(C)CC)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648542 OBDepict CH 3 N N O N N H H CH 3 O H H 3 C N N H O O IC50 = 1.7 nM 554.65 CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@@H]2C[C@H](C)O[C@H](C)C2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648559 OBDepict CH 3 N N O N N H H N O N N N H O CH 3 O IC50 = 1.7 nM 592.66 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](c3nnc(C)o3)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648513 OBDepict CH 3 N N O N N CH 3 F N N H O O IC50 = 1.7 nM 550.59 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(Cc2ccc(F)cc2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648597 OBDepict CH 3 N N O N N H H O N N N H O O O IC50 = 1.8 nM 593.64 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@@H](Oc3ccon3)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648608 OBDepict CH 3 N N O N N H H O N N CH 3 H O HO CH 3 O IC50 = 1.8 nM 598.7 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OC(C)C(C)O)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648611 OBDepict CH 3 N N O N N H H O N N H O HO O CH 3 IC50 = 1.8 nM 598.7 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OCC(O)CC)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3905533 OBDepict CH 3 N N O N O N N H O HO CH 3 O IC50 = 1.8 nM 597.72 CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC(OCC(C)O)CC2)c2ccnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3937585 OBDepict CH 3 N N O N O N N H O HO CH 3 O IC50 = 1.8 nM 583.69 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC(OCC(C)O)CC2)c2ccnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648516 OBDepict CH 3 N N O N N O H 3 C H 3 C CH 3 N N H O O IC50 = 1.8 nM 526.6 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(CC(=O)C(C)(C)C)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648525 OBDepict CH 3 N N O N N CH 3 N N H O O IC50 = 1.8 nM 524.63 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCCCC2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648545 OBDepict CH 3 N N O N N O H 3 C N N H O O IC50 = 1.9 nM 554.65 CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC(OC)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3954654 OBDepict CH 3 N N O N O N N H O HO O IC50 = 1.9 nM 595.7 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC(OCC3(O)CC3)CC2)c2ccnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648603 OBDepict CH 3 N N O N N H 3 C O O N N H O O IC50 = 1.9 nM 582.66 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC3(CC2)OCCO3)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648534 OBDepict H 3 C N N O N N F O N N H O O IC50 = 1.9 nM 530.56 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n(C2CCCOC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648576 OBDepict CH 3 N N O N N H H O N N H O N O IC50 = 1.9 nM 565.63 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OCC#N)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648567 OBDepict CH 3 N N O N N N O N N CH 3 H O O IC50 = 1.9 nM 553.62 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC(=NOC)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648560 OBDepict CH 3 N N O N N O O N N CH 3 CH 3 H O O IC50 = 1.9 nM 596.69 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC3(CC2)OCC(C)(C)O3)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648577 OBDepict CH 3 N N O N N H H O N N H O O H 3 C O IC50 = 1.9 nM 582.66 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OCC(C)=O)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648549 OBDepict CH 3 N N O N N O N N H O CH 2 O IC50 = 1.9 nM 566.66 C=CCOC1CCC(n2c(=O)c(Cc3ccc(-c4ccccc4-c4nc(=O)o[nH]4)cc3)c(CCC)n3ncnc23)CC1 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648527 OBDepict CH 3 N N O N N CH 3 N F F F O CH 3 N N H O O IC50 = 1.9 nM 595.58 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C/C(=NOCC)C(F)(F)F)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648570 OBDepict CH 3 N N O N N N O N N H O H 3 C CH 3 O IC50 = 2.0 nM 581.68 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC(=NOC(C)C)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648612 OBDepict CH 3 N N O N N H H O N N H O HO O CH 2 IC50 = 2.0 nM 596.69 C=CC(O)CO[C@H]1CC[C@H](n2c(=O)c(Cc3ccc(-c4ccccc4-c4nc(=O)o[nH]4)cc3)c(CCC)n3ncnc32)CC1 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648517 OBDepict CH 3 N N O N N N N H O O IC50 = 2.0 nM 482.54 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(CC2CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648531 OBDepict CH 3 N N O N N CH 3 H 3 C N CH 3 O CH 3 N N H O O IC50 = 2.0 nM 555.64 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C(C)/C(C)=N/OCC)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648639 OBDepict CH 3 N N O N H H O N N H O OH H 3 C O IC50 = 2.0 nM 583.69 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OCC(C)O)CC2)c2ccnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648533 OBDepict H 3 C N N O N N CH 3 F O N N H O O IC50 = 2.0 nM 530.56 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n(C2CCOC2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3639473 OBDepict CH 3 N N O N N F O N N H 3 C CH 3 H O O IC50 = 2.1 nM 580.62 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n(-c2ccc(OC(C)C)cc2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648515 OBDepict CH 3 N N O N N H 3 C CH 3 H 3 C N N H O O IC50 = 2.1 nM 498.59 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(CC(C)(C)C)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648566 OBDepict CH 3 N N O N N H H O N N H O O OH IC50 = 2.1 nM 584.68 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OCCCO)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648524 OBDepict CH 3 N N O N N CH 3 N N H O O IC50 = 2.1 nM 522.61 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2C=CCCC2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648605 OBDepict CH 3 N N O N N O O N N H O OH O IC50 = 2.1 nM 598.66 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC3(CC2)OCC(CO)O3)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3651825 OBDepict CH 3 N N O N N O N N O H O O CH 3 IC50 = 2.1 nM 584.68 CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(OCCOC)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648598 OBDepict CH 3 N N O N N H H O N N N H O O O IC50 = 2.2 nM 593.64 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](Oc3ccon3)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648588 OBDepict CH 3 N N O N O N N H O O IC50 = 2.2 nM 511.58 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCOCC2)c2ccnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648635 OBDepict CH 3 N N O N N H O N N H O OH O IC50 = 2.2 nM 596.69 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@@]3(CCC(CO)O3)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648630 OBDepict CH 3 N N O N N H H O N N H O OH H 3 C O IC50 = 2.2 nM 584.68 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OCC(C)O)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648529 OBDepict CH 3 N N O N N O N N H O O IC50 = 2.2 nM 512.57 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCOCC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648625 OBDepict CH 3 N N O N N F H H O N N HO CH 3 CH 3 H O O IC50 = 2.2 nM 588.64 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n([C@H]2C[C@H](OCC(C)(C)O)C2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648640 OBDepict CH 3 N N O N H H O N N H O O H 3 C O IC50 = 2.2 nM 581.67 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OCC(C)=O)CC2)c2ccnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648584 OBDepict CH 3 N N O N N H H O N N CH 3 H O N O IC50 = 2.3 nM 579.66 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OC(C)C#N)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL4110948 OBDepict H 3 C N N O N N O N N HO CH 3 CH 3 O H O IC50 = 2.3 nM 598.7 CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CC(OCC(O)(CC)CC)C2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648631 OBDepict CH 3 N N O N N H H O N N H O OH H 3 C H 3 C O IC50 = 2.3 nM 598.7 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OCC(C)(C)O)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648565 OBDepict CH 3 N N O N N H H O N N N N H N IC50 = 2.3 nM 561.65 CCCc1c(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(=O)n([C@H]2CC[C@H](c3cnco3)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648514 OBDepict CH 3 N N O N N H 3 C N N N CH 3 H O O IC50 = 2.4 nM 561.65 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(Cc2ccc(CC)nc2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648548 OBDepict CH 3 N N O N N O CH 3 N N H O O IC50 = 2.4 nM 540.62 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC(OC)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648535 OBDepict CH 3 N N O N N O N N O H O IC50 = 2.4 nM 512.57 CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCCOC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648520 OBDepict CH 3 N N O N N F O CH 3 O N N CH 3 H O O IC50 = 2.5 nM 596.62 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n(Cc2ccc(OC)cc2OC)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648593 OBDepict CH 3 N N O N N H H 3 C HO N N H O O IC50 = 2.5 nM 540.62 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@@](C)(O)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648550 OBDepict CH 3 N N O N N H H O N N H O OH H 3 C H 3 C O IC50 = 2.5 nM 598.7 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@@H](OCC(C)(C)O)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648564 OBDepict CH 3 N N O N N H H O N N N H O O IC50 = 2.5 nM 577.65 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](c3cnco3)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648563 OBDepict CH 3 N N O N N H CH 3 O N N H O OH O IC50 = 2.5 nM 584.68 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@](C)(OCCO)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648512 OBDepict CH 3 N N O N N F N N H O O IC50 = 2.6 nM 536.57 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(Cc2ccc(F)cc2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648574 OBDepict CH 3 N N O N N H O N N N CH 3 H O O IC50 = 2.7 nM 579.66 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@@]3(CC2)CC(C)=NO3)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648573 OBDepict CH 3 N N O N N H O N N N CH 3 H O O IC50 = 2.7 nM 579.66 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@]3(CC2)CC(C)=NO3)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648601 OBDepict CH 3 N N O N N CH 3 H H O N N H O OH O IC50 = 2.7 nM 584.68 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@@H](OCCO)CC2)c2nc(C)nn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648607 OBDepict CH 3 N N O N N H OH O N N CH 3 H O O IC50 = 2.8 nM 570.65 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@](O)(COC)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648519 OBDepict CH 3 N N O N N CH 3 N N H O O IC50 = 3.0 nM 470.53 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(CCC)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648518 OBDepict CH 3 N N O N N N N O CH 3 H O O IC50 = 3.0 nM 560.61 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(Cc2ccc(C(C)=O)cc2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648600 OBDepict CH 3 N N O N N O O N N H O O IC50 = 3.1 nM 582.66 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC3(CC2)OCCCO3)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648599 OBDepict CH 3 N N O N N O O N N H O CH 2 O IC50 = 3.1 nM 594.67 C=C1COC2(CCC(n3c(=O)c(Cc4ccc(-c5ccccc5-c5nc(=O)o[nH]5)cc4)c(CCC)n4ncnc34)CC2)OC1 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648634 OBDepict CH 3 N N O N N H O N N H O OH O IC50 = 3.1 nM 596.69 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@]3(CCC(CO)O3)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format
CHEMBL3648568 OBDepict CH 3 N N O N N H CH 3 OH N N H O O IC50 = 3.1 nM 554.65 CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@](C)(CO)CC2)c2ncnn12 Homo sapiens CHEMBL3705164 cell membrane format