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P05067 | A4_HUMAN | Amyloid-beta precursor protein (APP)

3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // Beta-APP ]

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[ Domain: "A heparin-binding domain" // APP_N ]

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[ Domain: "BPTI-like" // Kunitz_BPTI ]

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[ Domain: "CAPPD, an extracellular domain of amyloid beta A4 protein" // APP_E2 ]

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[ Domain: "Amyloid beta a4 protein copper binding domain (domain 2)" // APP_Cu_bd ]

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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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL384465 OBDepict F O O CH 3 O OH O OH CH 3 Ki = 0.07 nM 428.46 COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(OCCCF)c(OC)c2)ccc1O Homo sapiens CHEMBL907197 single protein format
CHEMBL74704 OBDepict Br OH O OH HO O OH Ki = 0.11 nM 481.3 O=C(O)c1cc(/C=C/c2ccc(/C=C/c3ccc(O)c(C(=O)O)c3)c(Br)c2)ccc1O Homo sapiens CHEMBL649530 tissue-based format
CHEMBL76112 OBDepict Br OH O OH HO O OH Ki = 0.13 nM 481.3 O=C(O)c1cc(/C=Cc2ccc(/C=Cc3ccc(O)c(C(=O)O)c3)c(Br)c2)ccc1O Homo sapiens CHEMBL649530 tissue-based format
CHEMBL300172 OBDepict OH O OH N N N N HO O HO Ki = 0.14 nM 482.45 O=C(O)c1cc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(O)c(C(=O)O)c4)cc3)cc2)ccc1O Homo sapiens CHEMBL649530 tissue-based format
CHEMBL292910 OBDepict CH 3 O O OH I O O HO H 3 C Ki = 0.17 nM 556.35 COc1ccc(/C=C/c2ccc(/C=C/c3ccc(OC)c(C(=O)O)c3)c(I)c2)cc1C(=O)O Homo sapiens CHEMBL649529 single protein format
CHEMBL305634 OBDepict Br OH O HO HO O HO Ki = 0.19 nM 481.3 O=C(O)c1cc(/C=Cc2ccc(/C=C/c3ccc(O)c(C(=O)O)c3)cc2Br)ccc1O Homo sapiens CHEMBL649530 tissue-based format
CHEMBL116438 OBDepict CH 3 O HO OH O O OH CH 3 Ki = 0.208 nM 368.39 COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O Homo sapiens CHEMBL907197 single protein format
CHEMBL74348 OBDepict Br OH O OH HO O OH Ki = 0.27 nM 481.3 O=C(O)c1cc(/C=Cc2ccc(/C=C/c3ccc(O)c(C(=O)O)c3)c(Br)c2)ccc1O Homo sapiens CHEMBL649530 tissue-based format
CHEMBL1091513 OBDepict F F S O O Cl HN S O O F F F IC50 < 0.5 nM 517.93 O=S(=O)(NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F Homo sapiens CHEMBL4882622 single protein format
CHEMBL3898248 OBDepict H 3 C O H N N H 2 N CH 3 O F F F IC50 = 0.7 nM 409.45 CO[C@H]1CC[C@]2(CC1)Cc1ccc(OCCC(F)(F)F)cc1[C@@]21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705693 cell-based format
CHEMBL4110988 OBDepict CH 3 O H N N NH 2 H 3 C CH 3 H 3 C IC50 = 0.7 nM 363.51 CO[C@H]1CC[C@]2(CC1)Cc1ccc(C#CC(C)C)cc1[C@]21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705693 cell-based format
CHEMBL204829 OBDepict CH 3 N H O HO Ki = 0.7 nM 239.27 CNc1ccc(-c2cc3cc(O)ccc3o2)cc1 Homo sapiens CHEMBL870087 assay format
CHEMBL2042122 OBDepict H 3 C N H F N S OH Ki = 0.74 nM 273.32 CNc1ccc(-c2nc3ccc(O)cc3s2)cc1[18F] Homo sapiens CHEMBL2045349 tissue-based format
CHEMBL579205 OBDepict H 3 C N H F N S OH Ki = 0.74 nM 274.32 CNc1ccc(-c2nc3ccc(O)cc3s2)cc1F Homo sapiens CHEMBL1039059 assay format
CHEMBL3902640 OBDepict N Cl F N N H 2 N CH 3 H O CH 3 IC50 = 0.8 nM 450.95 CO[C@H]1CC[C@]2(CC1)Cc1cc(F)c(-c3cc(Cl)cc(C#N)c3)cc1[C@@]21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705694 cell-based format
CHEMBL3939963 OBDepict CH 3 O H N N NH 2 H 3 C O IC50 = 0.8 nM 381.52 CO[C@H]1CC[C@]2(CC1)Cc1ccc(OCCC3CC3)cc1C21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705769 cell-based format
CHEMBL2407622 OBDepict F O N N N CH 3 CH 3 Ki = 0.895 nM 310.36 CN(C)c1ccc(-c2cnc3cc(OCC[18F])ccc3n2)cc1 Homo sapiens CHEMBL2409973 assay format
CHEMBL2407616 OBDepict F O N N N CH 3 CH 3 Ki = 0.895 nM 311.36 CN(C)c1ccc(-c2cnc3cc(OCCF)ccc3n2)cc1 Homo sapiens CHEMBL2409975 assay format
CHEMBL610504 OBDepict I N H O N O CH 3 Ki = 0.9 nM 378.17 CN1C(=O)c2ccc(Nc3ccc(I)cc3)cc2C1=O Homo sapiens CHEMBL1064995 assay format
CHEMBL55380 OBDepict I S N N CH 3 CH 3 Ki = 0.9 nM 380.25 CN(C)c1ccc(-c2nc3ccc(I)cc3s2)cc1 Homo sapiens CHEMBL649398 single protein format
CHEMBL3937398 OBDepict H 3 C O H N N H 2 N CH 3 O IC50 = 0.9 nM 367.49 CO[C@H]1CC[C@]2(CC1)Cc1ccc(OCC3CC3)cc1[C@@]21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705769 cell-based format
CHEMBL1086286 OBDepict H 3 C S N H O O H H O S O O F Cl F IC50 = 1.0 nM 520.02 CCS(=O)(=O)NC[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 Homo sapiens CHEMBL3705103 single protein format
CHEMBL3653726 OBDepict CH 3 N N N NH 2 H 3 C H HO IC50 = 1.0 nM 398.51 CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(N=C(C)C(N)=N2)[C@]2(CC[C@H](O)CC2)C3)c1 Homo sapiens CHEMBL3705693 cell-based format
CHEMBL3672723 OBDepict H 3 C O N N N NH 2 H 3 C H O H 3 C IC50 = 1.0 nM 442.56 COc1cc(C#N)cc(-c2ccc3c(c2)C2(N=C(C)C(N)=N2)[C@]2(CC3)CC[C@@H](OC)CC2)c1 Homo sapiens CHEMBL3705766 cell-based format
CHEMBL198598 OBDepict OH N H 3 C CH 3 Ki = 1.1 nM 239.32 CN(C)c1ccc(/C=C/c2ccc(O)cc2)cc1 Homo sapiens CHEMBL872393 tissue-based format
CHEMBL381642 OBDepict CH 3 NH HO Ki = 1.2 nM 225.29 CNc1ccc(/C=C/c2ccc(O)cc2)cc1 Homo sapiens CHEMBL872393 tissue-based format
CHEMBL227521 OBDepict F O O N H CH 3 Ki = 1.2 nM 313.37 CNc1ccc(C#Cc2ccc(OCCOCCF)cc2)cc1 Homo sapiens CHEMBL918464 tissue-based format
CHEMBL208212 OBDepict CH 3 N H O O H 3 C Ki = 1.3 nM 253.3 CNc1ccc(-c2cc3cc(OC)ccc3o2)cc1 Homo sapiens CHEMBL870087 assay format
CHEMBL3927449 OBDepict CH 3 O H N N NH 2 H 3 C O IC50 = 1.3 nM 381.52 CO[C@H]1CC[C@]2(CC1)Cc1ccc(OCC3CCC3)cc1[C@@]21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705769 cell-based format
CHEMBL3943313 OBDepict Cl S O O O F O H F S O O N N IC50 = 1.4 nM 587.07 O=S(=O)(CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OCC12)CCn1cccn1 Homo sapiens CHEMBL3887819 assay format
CHEMBL3961886 OBDepict CH 3 O H N N NH 2 H 3 C O IC50 = 1.5 nM 381.52 CO[C@H]1CC[C@]2(CC1)Cc1ccc(OCC3CCC3)cc1C21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705769 cell-based format
CHEMBL519255 OBDepict F O O O N H Ki = 1.5 nM 367.42 FCCOCCOCCOc1ccc(C#Cc2ccc3[nH]ccc3c2)cc1 Homo sapiens CHEMBL980887 assay format
CHEMBL228033 OBDepict CH 3 N H HO Ki = 1.5 nM 223.28 CNc1ccc(C#Cc2ccc(O)cc2)cc1 Homo sapiens CHEMBL918464 tissue-based format
CHEMBL3893021 OBDepict CH 3 O H N N NH 2 H 3 C CH 3 H 3 C IC50 = 1.6 nM 363.51 CO[C@H]1CC[C@]2(CC1)Cc1ccc(C#CC(C)C)cc1[C@@]21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705693 cell-based format
CHEMBL3672698 OBDepict N Cl N N H 2 N CH 3 H HO IC50 = 1.6 nM 418.93 CC1=N[C@]2(N=C1N)c1cc(-c3cc(Cl)cc(C#N)c3)ccc1C[C@]21CC[C@@H](O)CC1 Homo sapiens CHEMBL3705693 cell-based format
CHEMBL3672695 OBDepict F O N N NH 2 H 3 C H O F F IC50 = 1.6 nM 409.45 CC1=N[C@]2(N=C1N)c1cc(OCCCF)ccc1C[C@]21CC[C@@H](OC(F)F)CC1 Homo sapiens CHEMBL3705693 cell-based format
CHEMBL3923244 OBDepict H 3 C O H N N H 2 N CH 3 O IC50 = 1.6 nM 367.49 CO[C@H]1CC[C@]2(CC1)Cc1ccc(OCC3CC3)cc1C21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705769 cell-based format
CHEMBL232112 OBDepict HO O N Br NH CH 3 Ki = 1.6 nM 347.21 CNc1ccc(C#Cc2cnc(OCCO)c(Br)c2)cc1 Homo sapiens CHEMBL896392 tissue-based format
CHEMBL55536 OBDepict CH 3 N N N S Br Ki = 1.6 nM 388.33 CN1CCN(c2ccc(-c3nc4ccc(Br)cc4s3)cc2)CC1 Homo sapiens CHEMBL649528 single protein format
CHEMBL3956918 OBDepict Cl S O O O F O H F S O O N N O IC50 = 1.7 nM 575.01 O=S(=O)(CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OCC12)Cc1ncon1 Homo sapiens CHEMBL3887819 assay format
CHEMBL3947671 OBDepict N Cl F N N H 2 N CH 3 H O CH 3 IC50 = 1.7 nM 450.95 CO[C@H]1CC[C@]2(CC1)Cc1cc(F)c(-c3cc(Cl)cc(C#N)c3)cc1C21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705694 cell-based format
CHEMBL328660 OBDepict CH 3 N H N S Br Ki = 1.7 nM 319.23 CNc1ccc(-c2nc3ccc(Br)cc3s2)cc1 Homo sapiens CHEMBL649400 single protein format
CHEMBL570378 OBDepict CH 3 N H N N S HO Ki = 1.7 nM 257.32 CNc1ccc(-c2nc3ccc(O)cc3s2)cn1 Homo sapiens CHEMBL1039059 assay format
CHEMBL3934479 OBDepict Cl S O O O F O H F S O O N IC50 = 1.9 nM 584.06 O=S(=O)(CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OCC12)Cc1ccccn1 Homo sapiens CHEMBL3887819 assay format
CHEMBL227495 OBDepict F O O O NH CH 3 Ki = 1.9 nM 357.43 CNc1ccc(C#Cc2ccc(OCCOCCOCCF)cc2)cc1 Homo sapiens CHEMBL918464 tissue-based format
CHEMBL55401 OBDepict Br S N N CH 3 CH 3 Ki = 1.9 nM 333.25 CN(C)c1ccc(-c2nc3ccc(Br)cc3s2)cc1 Homo sapiens CHEMBL649528 single protein format
CHEMBL328430 OBDepict CH 3 O S N N H 3 C H 3 C Ki = 1.9 nM 284.38 COc1ccc2nc(-c3ccc(N(C)C)cc3)sc2c1 Homo sapiens CHEMBL649400 single protein format
CHEMBL4112651 OBDepict H 3 C O H N N NH 2 H 3 C IC50 = 2.0 nM 375.52 CO[C@H]1CC[C@]2(CC1)Cc1ccc(C#CC3CCC3)cc1[C@]21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705693 cell-based format
CHEMBL570610 OBDepict I N H 3 C CH 3 Ki = 2.0 nM 349.22 CN(C)c1ccc(/C=C/c2ccc(I)cc2)cc1 Homo sapiens CHEMBL1039059 assay format
CHEMBL3891777 OBDepict H 3 C O H N N NH 2 H 3 C IC50 = 2.1 nM 375.52 CO[C@H]1CC[C@]2(CC1)Cc1ccc(C#CC3CCC3)cc1[C@@]21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705693 cell-based format
CHEMBL490083 OBDepict CH 3 O S N F Ki = 2.2 nM 259.31 COc1ccc2nc(-c3ccc(F)cc3)sc2c1 Homo sapiens CHEMBL996841 tissue-based format
CHEMBL566723 OBDepict F O N H CH 3 Ki = 2.22 nM 327.44 CNc1ccc(/C=C/c2ccc(OCCCCCCF)cc2)cc1 Homo sapiens CHEMBL1039059 assay format
CHEMBL566752 OBDepict F O O O N H H 3 C Ki = 2.22 nM 358.44 CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1 Homo sapiens CHEMBL2045349 tissue-based format
CHEMBL3905816 OBDepict CH 3 O H N N NH 2 H 3 C O F F IC50 = 2.3 nM 403.47 CO[C@H]1CC[C@]2(CC1)Cc1ccc(OCC3CC3(F)F)cc1C21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705769 cell-based format
CHEMBL205221 OBDepict CH 3 O O H 2 N Ki = 2.3 nM 239.27 COc1ccc2oc(-c3ccc(N)cc3)cc2c1 Homo sapiens CHEMBL870087 assay format
CHEMBL565657 OBDepict CH 3 N CH 3 N S Ki = 2.3 nM 280.4 CN(C)c1ccc(/C=C/c2nc3ccccc3s2)cc1 Homo sapiens CHEMBL1039059 assay format
CHEMBL2042123 OBDepict CH 3 N H N F N S HO Ki = 2.3 nM 274.31 CNc1ccc(-c2nc3ccc(O)cc3s2)c([18F])n1 Homo sapiens CHEMBL2045349 tissue-based format
CHEMBL239629 OBDepict OH N N O O H N S H O O Cl F F IC50 = 2.4 nM 584.09 O=C(OC1([C@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1 Homo sapiens CHEMBL899458 assay format
CHEMBL3672687 OBDepict Br N N H 2 N CH 3 H HO IC50 = 2.4 nM 362.27 CC1=NC2(N=C1N)c1cc(Br)ccc1C[C@]21CC[C@@H](O)CC1 Homo sapiens CHEMBL3705693 cell-based format
CHEMBL3672728 OBDepict CH 3 N N N NH 2 H 3 C H O H 3 C IC50 = 2.4 nM 426.56 CC#Cc1cncc(-c2ccc3c(c2)C2(N=C(C)C(N)=N2)[C@]2(CC3)CC[C@@H](OC)CC2)c1 Homo sapiens CHEMBL3705766 cell-based format
CHEMBL239858 OBDepict H 3 C H N S O O Cl H O N O N IC50 = 2.5 nM 552.18 CCC[C@@H]1CCC[C@H](C2(OC(=O)N3CCC(N4CCCCC4)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL899458 assay format
CHEMBL3672725 OBDepict CH 3 O H N N NH 2 H 3 C N Cl IC50 = 2.5 nM 422.96 CO[C@H]1CC[C@@]2(CCc3ccc(-c4cncc(Cl)c4)cc3C23N=C(C)C(N)=N3)CC1 Homo sapiens CHEMBL3705766 cell-based format
CHEMBL3899321 OBDepict CH 3 O H N N NH 2 H 3 C O F H 3 C IC50 = 2.5 nM 373.47 CO[C@H]1CC[C@]2(CC1)Cc1ccc(OCC(C)F)cc1C21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705693 cell-based format
CHEMBL400420 OBDepict Cl S N O O H H O N O N IC50 = 2.8 nM 550.17 O=C(OC1([C@H]2CCC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCCCC2)CC1 Homo sapiens CHEMBL899458 assay format
CHEMBL3915935 OBDepict CH 3 O H N N NH 2 CH 3 O H 3 C IC50 = 2.8 nM 381.52 CO[C@H]1CC[C@]2(CC1)Cc1ccc(OCC3(C)CC3)cc1C21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705769 cell-based format
CHEMBL3941787 OBDepict Cl S O O O F O H F S O O O N H IC50 = 2.8 nM 586.03 O=c1[nH]cccc1S(=O)(=O)CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OCC12 Homo sapiens CHEMBL3887819 assay format
CHEMBL204414 OBDepict OH O N H 3 C H 3 C Ki = 2.8 nM 253.3 CN(C)c1ccc(-c2cc3cc(O)ccc3o2)cc1 Homo sapiens CHEMBL870087 assay format
CHEMBL1788111 OBDepict OH S N N T T T T Ki = 2.8 nM 264.36 [3H]N(c1ccc(-c2nc3ccc(O)cc3s2)cc1)C([3H])([3H])[3H] Homo sapiens CHEMBL872393 tissue-based format
CHEMBL1774461 OBDepict F O O O N N H H 3 C Ki = 2.87 nM 359.43 CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])nc2)cc1 Homo sapiens CHEMBL1039059 assay format
CHEMBL3900140 OBDepict Cl S O O O F O H F S O O N N IC50 = 2.9 nM 571.02 O=S(=O)(CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OCC12)c1ccncn1 Homo sapiens CHEMBL3887819 assay format
CHEMBL223285 OBDepict CH 3 O H 2 N Ki = 2.9 nM 223.28 COc1ccc(C#Cc2ccc(N)cc2)cc1 Homo sapiens CHEMBL918464 tissue-based format
CHEMBL566709 OBDepict F O N H CH 3 Ki = 2.9 nM 299.39 CNc1ccc(/C=C/c2ccc(OCCCCF)cc2)cc1 Homo sapiens CHEMBL1039059 assay format
CHEMBL224096 OBDepict F O O O N CH 3 CH 3 Ki = 2.9 nM 371.45 CN(C)c1ccc(C#Cc2ccc(OCCOCCOCCF)cc2)cc1 Homo sapiens CHEMBL918464 tissue-based format
CHEMBL228034 OBDepict CH 3 O HO Ki = 2.9 nM 224.26 COc1ccc(C#Cc2ccc(O)cc2)cc1 Homo sapiens CHEMBL918464 tissue-based format
CHEMBL3969309 OBDepict H 3 C O H N N H 2 N CH 3 F N Cl IC50 = 3.0 nM 426.92 CO[C@H]1CC[C@]2(CC1)Cc1cc(F)c(-c3cncc(Cl)c3)cc1C21N=C(C)C(N)=N1 Homo sapiens CHEMBL3705694 cell-based format
CHEMBL4167943 OBDepict HO S Ki = 3.04 nM 226.3 Oc1ccc(-c2cc3ccccc3s2)cc1 Homo sapiens CHEMBL4132034 single protein format
CHEMBL3672730 OBDepict CH 3 O N N NH 2 H 3 C Cl N IC50 = 3.1 nM 446.98 COC1CCC2(CCc3ccc(-c4cc(Cl)cc(C#N)c4)cc3C23N=C(C)C(N)=N3)CC1 Homo sapiens CHEMBL3705766 cell-based format
CHEMBL227577 OBDepict OH O O N H CH 3 Ki = 3.1 nM 311.38 CNc1ccc(C#Cc2ccc(OCCOCCO)cc2)cc1 Homo sapiens CHEMBL918464 tissue-based format
CHEMBL392144 OBDepict H 3 C H N S O O Cl H O N O HO H 3 C IC50 = 3.2 nM 499.07 CC[C@@H]1CCC[C@H](C2(OC(=O)N3CCC(O)(CC)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL899458 assay format
CHEMBL2017621 OBDepict F O S N N NH CH 3 Ki = 3.2 nM 340.41 CNc1ccc(-c2cn3c(n2)sc2cc(OCC[18F])ccc23)cc1 Homo sapiens CHEMBL2019992 assay format
CHEMBL413436 OBDepict HO O O O N CH 3 CH 3 Ki = 3.4 nM 369.46 CN(C)c1ccc(C#Cc2ccc(OCCOCCOCCO)cc2)cc1 Homo sapiens CHEMBL918464 tissue-based format
CHEMBL442801 OBDepict Cl S N O O H H O F F F N O N IC50 = 3.5 nM 592.12 O=C(OC1([C@H]2CCC[C@@H](CC(F)(F)F)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC(N2CCCCC2)CC1 Homo sapiens CHEMBL899458 assay format
CHEMBL239859 OBDepict CH 3 H N S O O Cl H O N O N IC50 = 3.5 nM 538.15 CC[C@@H]1CCC[C@H](C2(OC(=O)N3CCC(N4CCCCC4)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL899458 assay format
CHEMBL392060 OBDepict HO N N O O H N S H O O Cl CH 3 IC50 = 3.5 nM 526.1 CC[C@@H]1CCC[C@H](C2(OC(=O)N3CC4CCC(C3)N4CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL899458 assay format
CHEMBL1671878 OBDepict H 3 C N H N N S O CH 3 Ki = 3.5 nM 309.39 CNc1ccc(-c2cn3c(n2)sc2cc(OC)ccc23)cc1 Homo sapiens CHEMBL1675410 single protein format
CHEMBL390561 OBDepict OH O N Br N CH 3 CH 3 Ki = 3.6 nM 363.25 CN(C)c1ccc(/C=C/c2cnc(OCCO)c(Br)c2)cc1 Homo sapiens CHEMBL919858 assay format
CHEMBL389671 OBDepict OH O O N CH 3 CH 3 Ki = 3.8 nM 325.41 CN(C)c1ccc(C#Cc2ccc(OCCOCCO)cc2)cc1 Homo sapiens CHEMBL918464 tissue-based format
CHEMBL566354 OBDepict F N S N CH 3 CH 3 Ki = 3.8 nM 272.35 CN(C)c1ccc2nc(-c3ccc(F)cc3)sc2c1 Homo sapiens CHEMBL1044771 tissue-based format
CHEMBL598081 OBDepict Br N H O N O CH 3 Ki = 3.8 nM 331.17 CN1C(=O)c2ccc(Nc3ccc(Br)cc3)cc2C1=O Homo sapiens CHEMBL1064995 assay format
CHEMBL206224 OBDepict F N H S HO Ki = 3.9 nM 313.4 Oc1ccc(-c2ccc(-c3ccc(NCCF)cc3)s2)cc1 Homo sapiens CHEMBL866523 tissue-based format
CHEMBL609015 OBDepict I N O N N CH 3 CH 3 Ki = 3.91 nM 391.21 CN(C)c1ccc(-c2nnc(-c3ccc(I)cc3)o2)cc1 Homo sapiens CHEMBL3136098 single protein format
CHEMBL2203379 OBDepict F N O N N CH 3 CH 3 IC50 = 4.0 nM 257.27 CN(C)c1ccc(-c2nc3ccc(F)nc3o2)cc1 Homo sapiens CHEMBL2208947 assay format
CHEMBL92816 OBDepict H 3 C N H 3 C N S Ki = 4.0 nM 254.36 CN(C)c1ccc(-c2nc3ccccc3s2)cc1 Homo sapiens CHEMBL649400 single protein format
CHEMBL451807 OBDepict F O O O N H Ki = 4.0 nM 369.44 FCCOCCOCCOc1ccc(C#Cc2ccc3c(c2)CCN3)cc1 Homo sapiens CHEMBL980887 assay format
CHEMBL204010 OBDepict OH S HO Ki = 4.0 nM 268.34 Oc1ccc(-c2ccc(-c3ccc(O)cc3)s2)cc1 Homo sapiens CHEMBL866523 tissue-based format
CHEMBL598288 OBDepict CH 3 N H O N O H 3 C Ki = 4.1 nM 266.3 Cc1ccc(Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 Homo sapiens CHEMBL1064995 assay format
CHEMBL578982 OBDepict CH 3 N H S N F Ki = 4.1 nM 258.32 CNc1ccc2nc(-c3ccc(F)cc3)sc2c1 Homo sapiens CHEMBL1044771 tissue-based format
CHEMBL93124 OBDepict CH 3 N H N S HO Ki = 4.3 nM 256.33 CNc1ccc(-c2nc3ccc(O)cc3s2)cc1 Homo sapiens CHEMBL649400 single protein format
CHEMBL4175800 OBDepict H 2 N S Ki = 4.31 nM 225.32 Nc1ccc(-c2cc3ccccc3s2)cc1 Homo sapiens CHEMBL4132034 single protein format
CHEMBL2296467 OBDepict CH 3 O S N N N H 3 C H 3 C Ki = 4.38 nM 311.41 COc1ccc2nc(/N=C/c3ccc(N(C)C)cc3)sc2c1 Homo sapiens CHEMBL3070212 tissue-based format