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P16581 | LYAM2_HUMAN | E-selectin (SELE)

3D structures mapped by conservation among orthologs

[ Domain: "C-type lectin-like" // Lectin_C ]

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

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[ Domain: "Complement control module/SCR domain" // Sushi ]

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

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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
CHEMBL119501 OBDepict CH 3 N H O S N O F F F IC50 = 0.7 nM 352.34 CNC(=O)c1cc2c(Oc3ccc(C(F)(F)F)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL119733 OBDepict CH 2 O N S O H 2 N IC50 = 1.0 nM 296.35 C=Cc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL118113 OBDepict NH 2 O S N O O O IC50 = 2.0 nM 384.46 NC(=O)c1cc2c(Oc3ccc(COC4CCCCO4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL325184 OBDepict CH 3 N H O S N O N N IC50 = 2.0 nM 350.4 CNC(=O)c1cc2c(Oc3ccc(-n4ccnc4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL117198 OBDepict N O N S O H 2 N IC50 = 3.0 nM 295.32 N#Cc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL119039 OBDepict CH 3 N H O S N O N N IC50 = 4.0 nM 350.4 CNC(=O)c1cc2c(Oc3ccc(-n4cccn4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL116070 OBDepict Br O N S O NH 2 IC50 = 4.0 nM 349.21 NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL266198 OBDepict Br S N S O NH 2 IC50 = 5.0 nM 365.28 NC(=O)c1cc2c(Sc3ccc(Br)cc3)cncc2s1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL117668 OBDepict CH 3 O O O N S O H 2 N IC50 = 5.0 nM 358.42 COCCOCc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL117746 OBDepict CH 3 O O O O N S O H 2 N IC50 = 5.0 nM 402.47 COCCOCCOCc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL117894 OBDepict CH 3 N H O S N O S IC50 = 5.0 nM 366.47 CNC(=O)c1cc2c(Oc3ccc(-c4cccs4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL118034 OBDepict CH 3 N H O S N O O IC50 = 5.0 nM 350.4 CNC(=O)c1cc2c(Oc3ccc(-c4ccco4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL117279 OBDepict CH 3 O O O O N S N H O CH 3 IC50 = 6.0 nM 416.5 CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL116152 OBDepict I O N S O NH 2 IC50 = 6.0 nM 396.21 NC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL326120 OBDepict H 2 N O S N O N N IC50 = 6.0 nM 336.38 NC(=O)c1cc2c(Oc3ccc(-n4ccnc4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL118518 OBDepict Cl O N S O NH 2 IC50 = 6.0 nM 304.76 NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL326271 OBDepict H 3 C NH O S N O Br IC50 = 7.0 nM 363.24 CNC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL331584 OBDepict CH 3 O O O N S N H O H 3 C IC50 = 7.0 nM 372.45 CNC(=O)c1cc2c(Oc3ccc(COCCOC)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL118886 OBDepict NH 2 O S N O F Cl IC50 = 8.0 nM 322.75 NC(=O)c1cc2c(Oc3ccc(Cl)c(F)c3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL118074 OBDepict H 3 C NH O S N O Cl IC50 = 8.0 nM 318.79 CNC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL115637 OBDepict CH 3 N H O S N O IC50 = 9.0 nM 360.44 CNC(=O)c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL268567 OBDepict Cl S N S O NH 2 IC50 = 12.0 nM 320.83 NC(=O)c1cc2c(Sc3ccc(Cl)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL116363 OBDepict CH 3 N H O S N O NH HN HO IC50 = 13.0 nM 342.38 CNC(=O)c1cc2c(Oc3ccc(C(=N)NO)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL267125 OBDepict H 2 N O S N S CH 3 CH 3 IC50 = 13.0 nM 314.44 Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1C Homo sapiens CHEMBL803587 cell-based format
CHEMBL326771 OBDepict CH 3 O O N S N H O CH 3 IC50 = 13.0 nM 328.39 CNC(=O)c1cc2c(Oc3ccc(COC)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL119183 OBDepict CH 3 O O N S O H 2 N IC50 = 16.0 nM 314.37 COCc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL115971 OBDepict CH 3 N H O S N O N IC50 = 18.0 nM 309.35 CNC(=O)c1cc2c(Oc3ccc(C#N)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL116089 OBDepict H 2 N O S N O F F F IC50 = 19.0 nM 338.31 NC(=O)c1cc2c(Oc3ccc(C(F)(F)F)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL117453 OBDepict CH 3 O N S O H 2 N IC50 = 20.0 nM 284.34 Cc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL116307 OBDepict CH 3 O O O N S O H 2 N IC50 = 20.0 nM 342.38 CCOC(=O)c1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL267678 OBDepict CH 3 S N S O H 2 N IC50 = 20.0 nM 300.41 Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL267456 OBDepict NH 2 O S N S IC50 = 20.0 nM 286.38 NC(=O)c1cc2c(Sc3ccccc3)cncc2s1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL118299 OBDepict CH 3 N H O S N O O H 3 C IC50 = 21.0 nM 326.38 CNC(=O)c1cc2c(Oc3ccc(C(C)=O)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL419046 OBDepict O N O O N S O NH 2 IC50 = 25.0 nM 409.47 NC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)N4CCOCC4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL115966 OBDepict CH 3 N H O S N O HO IC50 = 25.0 nM 314.37 CNC(=O)c1cc2c(Oc3ccc(CO)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL116454 OBDepict CH 3 N H O S N O N N O F F F IC50 = 28.0 nM 420.37 CNC(=O)c1cc2c(Oc3ccc(-c4noc(C(F)(F)F)n4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL118022 OBDepict OH O N S O NH 2 IC50 = 28.0 nM 300.34 NC(=O)c1cc2c(Oc3ccc(CO)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL119732 OBDepict CH 3 O N S O H 2 N IC50 = 30.0 nM 298.37 CCc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL119091 OBDepict CH 3 N H O S N O Cl IC50 = 31.0 nM 332.81 CCNC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL118089 OBDepict CH 3 N H O S N O OH IC50 = 31.0 nM 354.43 CNC(=O)c1cc2c(Oc3ccc(C4(CO)CC4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL269598 OBDepict NH 2 N H O S N S H 3 C IC50 = 32.0 nM 315.42 Cc1ccc(Sc2cncc3sc(C(=O)NN)cc23)cc1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL325651 OBDepict O NH N O O N S O H 2 N IC50 = 34.0 nM 452.54 NC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCCN4CCOCC4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL117093 OBDepict CH 3 N H O S N O N O IC50 = 35.0 nM 369.45 CNC(=O)c1cc2c(Oc3ccc(N4CCOCC4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL117936 OBDepict NH 2 O N S O NH 2 IC50 = 35.0 nM 285.33 NC(=O)c1cc2c(Oc3ccc(N)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL325033 OBDepict CH 3 N H O S O N NH O N O IC50 = 43.0 nM 466.56 CNC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCCN4CCOCC4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL6830 OBDepict CH 3 CH 3 S N S O H 2 N IC50 = 43.0 nM 314.44 Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)c(C)c1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL6542 OBDepict H 2 N O S N S F F F IC50 = 44.0 nM 354.38 NC(=O)c1cc2c(Sc3ccc(C(F)(F)F)cc3)cncc2s1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL269497 OBDepict CH 3 S N S O H 2 N IC50 = 45.0 nM 300.41 Cc1cccc(Sc2cncc3sc(C(N)=O)cc23)c1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL6248 OBDepict CH 3 O S O H 3 C CH 3 O H 2 N IC50 = 50.0 nM 265.33 COc1ccc2sc(C(N)=O)c(OC(C)C)c2c1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL6278 OBDepict CH 3 S N S O NH 2 IC50 = 55.0 nM 300.41 Cc1ccccc1Sc1cncc2sc(C(N)=O)cc12 Homo sapiens CHEMBL803587 cell-based format
CHEMBL262570 OBDepict HO N H 3 C S N S H 3 C IC50 = 55.0 nM 314.44 C/C(=NO)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL331662 OBDepict NH 2 O S N O IC50 = 60.0 nM 270.31 NC(=O)c1cc2c(Oc3ccccc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL118300 OBDepict H 3 C N H O S N O O F F F IC50 = 60.0 nM 368.34 CNC(=O)c1cc2c(Oc3ccc(OC(F)(F)F)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL6517 OBDepict CH 3 O N H 3 C O S N S H 3 C IC50 = 60.0 nM 344.46 CON(C)C(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL115815 OBDepict NH 2 O S N O CH 3 Cl IC50 = 70.0 nM 318.79 Cc1cc(Oc2cncc3sc(C(N)=O)cc23)ccc1Cl Homo sapiens CHEMBL802927 cell-based format
CHEMBL324158 OBDepict CH 3 CH 3 O N S O H 2 N IC50 = 76.0 nM 312.39 CC(C)c1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL117571 OBDepict H 2 N O S N O CH 3 H 3 C CH 3 IC50 = 79.0 nM 326.42 CC(C)(C)c1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL119815 OBDepict Br O N S O H 2 N IC50 = 80.0 nM 349.21 NC(=O)c1cc2c(Oc3cccc(Br)c3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL269075 OBDepict CH 3 O N H O S N S H 3 C IC50 = 88.0 nM 330.43 CONC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL324133 OBDepict Cl O N S N O CH 3 H 3 C IC50 = 100.0 nM 332.81 CN(C)C(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL115742 OBDepict F O N S O NH 2 IC50 = 100.0 nM 288.3 NC(=O)c1cc2c(Oc3ccc(F)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL6612 OBDepict NH 2 O S N S Cl Cl IC50 = 100.0 nM 355.27 NC(=O)c1cc2c(Sc3ccc(Cl)c(Cl)c3)cncc2s1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL326712 OBDepict CH 3 N H O S N O N N H 3 C IC50 = 110.0 nM 382.49 CNC(=O)c1cc2c(Oc3ccc(N4CCN(C)CC4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL119599 OBDepict Cl Br O N S O NH 2 IC50 = 110.0 nM 383.65 NC(=O)c1cc2c(Oc3ccc(Cl)cc3Br)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL115431 OBDepict CH 3 O O O F F O N S N H O CH 3 IC50 = 110.0 nM 480.53 CCOCCOCCOCC(F)(F)c1ccc(Oc2cncc3sc(C(=O)NC)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL117671 OBDepict O N NH O O N S O NH 2 IC50 = 115.0 nM 520.66 NC(=O)c1cc2c(Oc3ccc(C(=O)N(C(=O)NC4CCCCC4)C4CCCCC4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL115960 OBDepict CH 3 O O O O N S N H O CH 3 IC50 = 120.0 nM 470.59 CCOCCOCCOCC1(c2ccc(Oc3cncc4sc(C(=O)NC)cc34)cc2)CC1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL119886 OBDepict OH N H O S N O Br IC50 = 120.0 nM 393.26 O=C(NCCO)c1cc2c(Oc3ccc(Br)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL117292 OBDepict CH 3 N H O S N O N H N N H 3 C IC50 = 120.0 nM 439.59 CNC(=O)c1cc2c(Oc3ccc(NCCCN4CCN(C)CC4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL263081 OBDepict CH 3 O S N S O H 2 N IC50 = 130.0 nM 316.41 COc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL266708 OBDepict CH 3 S N S O CH 3 IC50 = 140.0 nM 299.42 CC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL266429 OBDepict CH 3 S N S NH HS IC50 = 150.0 nM 316.48 Cc1ccc(Sc2cncc3sc(C(=N)S)cc23)cc1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL119532 OBDepict CH 3 O O N S O H 2 N IC50 = 150.0 nM 300.34 COc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL331055 OBDepict CH 3 N H O S N O N N CH 3 IC50 = 150.0 nM 364.43 CNC(=O)c1cc2c(Oc3ccc(-c4cncn4C)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL115981 OBDepict H 2 N O S N O Cl CH 3 IC50 = 170.0 nM 318.79 Cc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1Cl Homo sapiens CHEMBL802927 cell-based format
CHEMBL119705 OBDepict CH 3 N H O S N O N N N IC50 = 180.0 nM 351.39 CNC(=O)c1cc2c(Oc3ccc(-n4cncn4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL6264 OBDepict NH 2 O O N S N S H 3 C IC50 = 200.0 nM 357.46 Cc1ccc(Sc2cncc3sc(/C=N/OCC(N)=O)cc23)cc1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL268530 OBDepict HO S N S CH 3 IC50 = 200.0 nM 287.41 Cc1ccc(Sc2cncc3sc(CO)cc23)cc1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL119523 OBDepict OH N H O S N O Cl IC50 = 210.0 nM 348.81 O=C(NCCO)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL6257 OBDepict NH 2 O S N Cl IC50 = 250.0 nM 212.66 NC(=O)c1cc2c(Cl)cncc2s1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL324824 OBDepict CH 3 N H O S N O F F HO IC50 = 300.0 nM 364.37 CNC(=O)c1cc2c(Oc3ccc(C(F)(F)CO)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL269570 OBDepict Cl S N S O NH 2 IC50 = 340.0 nM 334.85 NC(=O)c1cc2c(SCc3ccc(Cl)cc3)cncc2s1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL115432 OBDepict Cl CH 3 O N S O H 2 N IC50 = 370.0 nM 318.79 Cc1cc(Cl)ccc1Oc1cncc2sc(C(N)=O)cc12 Homo sapiens CHEMBL802927 cell-based format
CHEMBL434222 OBDepict H 3 C HN O O N S O NH 2 IC50 = 380.0 nM 327.37 CC(=O)Nc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL117565 OBDepict CH 3 N H O S N O NH N IC50 = 470.0 nM 352.42 CNC(=O)c1cc2c(Oc3ccc(C4=NCCN4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL6371 OBDepict CH 3 S N S O IC50 = 500.0 nM 361.49 Cc1ccc(Sc2cncc3sc(C(=O)c4ccccc4)cc23)cc1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL119861 OBDepict CH 3 O N S O H 2 N IC50 = 520.0 nM 382.53 CCCCCCCCc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL267938 OBDepict NH 2 O S N S H 3 C O IC50 = 600.0 nM 290.37 Cc1occc1Sc1cncc2sc(C(N)=O)cc12 Homo sapiens CHEMBL803587 cell-based format
CHEMBL119711 OBDepict CH 3 N H O S O N NH O N N H IC50 = 600.0 nM 447.52 CNC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCCc4c[nH]cn4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL428508 OBDepict HO HO N H O S N S CH 3 IC50 = 620.0 nM 374.49 Cc1ccc(Sc2cncc3sc(C(=O)NCC(O)CO)cc23)cc1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL323832 OBDepict CH 3 O O O N S O H 2 N IC50 = 630.0 nM 342.38 CCOC(=O)c1cccc(Oc2cncc3sc(C(N)=O)cc23)c1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL119522 OBDepict OH N HO N H O O N S O NH 2 IC50 = 650.0 nM 470.55 NC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCCN(CCO)CCO)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL263080 OBDepict NH 2 O S N S N IC50 = 660.0 nM 287.37 NC(=O)c1cc2c(Sc3ccccn3)cncc2s1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL115462 OBDepict HO OH O N S O H 2 N IC50 = 670.0 nM 330.37 NC(=O)c1cc2c(Oc3ccc(C(O)CO)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL116958 OBDepict OH N OH N H O O N S N H O CH 3 IC50 = 680.0 nM 484.58 CNC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCCN(CCO)CCO)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL6381 OBDepict O S N S CH 3 IC50 = 690.0 nM 285.39 Cc1ccc(Sc2cncc3sc(C=O)cc23)cc1 Homo sapiens CHEMBL803587 cell-based format
CHEMBL119348 OBDepict H 3 C N H O S O N HN O N O IC50 = 770.0 nM 440.53 CNC(=O)c1cc2c(Oc3ccc(C(=O)NCCN4CCOCC4)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL325893 OBDepict Cl O N S O H 2 N IC50 = 800.0 nM 304.76 NC(=O)c1cc2c(Oc3cccc(Cl)c3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format
CHEMBL221163 OBDepict O HN HO OH HO O OH IC50 = 800.0 nM 303.27 O=C(Cc1cc(O)c(O)c(O)c1)Nc1cccc(C(=O)O)c1 Homo sapiens CHEMBL917093 single protein format
CHEMBL118358 OBDepict OH OH N H O O N S N H O CH 3 IC50 = 830.0 nM 427.48 CNC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCC(O)CO)cc3)cncc2s1 Homo sapiens CHEMBL802927 cell-based format