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P28062 | PSB8_HUMAN | Proteasome subunit beta type-8 (PSMB8)

3D structures mapped by conservation among orthologs

[ Domain: "Proteasome subunits" // Proteasome ]

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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
CHEMBL4297468 OBDepict CH 3 O HO H NH H NH O O H N H CH 3 H O CH 3 O O N O IC50 = 0.039 nM 586.69 COc1ccc([C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4403376 single protein format
CHEMBL4751044 OBDepict H 3 C O N H H N H O O N H H O N N H O F O H 3 C CH 3 CH 3 CH 3 IC50 = 0.4 nM 569.63 COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1ccc(F)c2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4784875 OBDepict O HN H 3 C H 3 C CH 3 HN H NH O S O O H 3 C H 3 C H N H O IC50 = 0.4 nM 566.72 Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2cccc3ccccc23)cc1 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4796570 OBDepict O N H H 3 C H 3 C CH 3 N H H NH O O H 3 C H N NH O O H 3 C F IC50 = 1.2 nM 539.61 Cc1cc(C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2ccc(F)c3ccccc23)no1 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4749207 OBDepict CH 3 CH 3 B HN H HO HO O N H H O OH IC50 = 1.3 nM 412.3 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O Homo sapiens CHEMBL4682120 single protein format
CHEMBL4764897 OBDepict O HN H N H O H 3 C H N H O NH O CH 3 H 3 C CH 3 IC50 = 1.5 nM 544.7 C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4758484 OBDepict O HN H N H O H 3 C H N H O NH O CH 3 H 3 C CH 3 F IC50 = 1.6 nM 562.69 C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1ccc(F)c2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4784015 OBDepict CH 3 O N H H N H O O NH H O N H O CH 3 CH 3 H 3 C IC50 = 2.3 nM 574.72 COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4763116 OBDepict O HN H 3 C H 3 C CH 3 HN H NH O S O O H 3 C H 3 C H N H O F IC50 = 2.4 nM 584.71 Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2ccc(F)c3ccccc23)cc1 Homo sapiens CHEMBL4704260 single protein format
CHEMBL270515 OBDepict OH B HO NH H O H 3 C H 3 C NH H HO CH 3 H O N IC50 = 3.0 nM 413.28 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O Homo sapiens CHEMBL4403376 single protein format
CHEMBL4754892 OBDepict H 3 C O N H H NH O O NH H O N H O O CH 3 CH 3 H 3 C IC50 = 4.4 nM 576.69 COC[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL489864 OBDepict CH 3 O O N HN O H N H O O CH 3 H NH O O CH 3 H O CH 3 O IC50 = 5.0 nM 546.58 CCOc1cc(C(=O)N[C@@H](COC)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)no1 Homo sapiens CHEMBL981240 single protein format
CHEMBL4759896 OBDepict O N H NH H H 3 C CH 3 H 3 C N H O O CH 3 H O HN O N H IC50 = 5.0 nM 569.66 C[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4469397 OBDepict O N H N H H 3 C H O NH H S O O CH 3 N H O H 3 C CH 3 H 3 C IC50 = 5.5 nM 566.72 Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)N[C@@H](C)CC(=O)NCc2cccc3ccccc23)cc1 Homo sapiens CHEMBL4403386 cell-based format
CHEMBL4758527 OBDepict O N H O N H H N H O H 3 C CH 3 H 3 C O CH 3 H HN O IC50 = 5.7 nM 546.67 C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL3319481 OBDepict CH 3 O N H H HN O O H N H CH 3 H O H 3 C O O N O IC50 = 6.6 nM 586.73 COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL3371271 cell-based format
CHEMBL4782251 OBDepict H 3 C O N H H N H O O N H H NH O O H 3 C H 3 C CH 3 IC50 = 7.2 nM 560.7 COC[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL325041 OBDepict H 3 C CH 3 B NH H OH OH O N H H O N N IC50 = 8.1 nM 384.25 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O Homo sapiens CHEMBL981240 single protein format
CHEMBL4465266 OBDepict O O N O O O O CH 3 O IC50 = 9.0 nM 445.43 Cc1c(CCC(=O)ON2C(=O)CCC2=O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 Homo sapiens CHEMBL4403388 single protein format
CHEMBL4290778 OBDepict CH 3 H 3 C H H O O H N H O H HN O CH 3 CH 3 H O O O IC50 = 9.1 nM 538.64 CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H](C(=O)N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1)C(C)C Homo sapiens CHEMBL4275391 single protein format
CHEMBL2103884 OBDepict CH 3 O N H H N H O O H NH H O O CH 3 O O CH 3 S N H 3 C IC50 = 10.0 nM 532.62 COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 Homo sapiens CHEMBL2184800 cell-based format
CHEMBL4764263 OBDepict H 3 C O N H H N H O O N H H O NH O N F O H 3 C H 3 C CH 3 CH 3 IC50 = 11.0 nM 555.61 COC[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1ccc(F)c2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4776824 OBDepict CH 3 O N H H N H O O HN H O N H O N O CH 3 CH 3 CH 3 H 3 C IC50 = 12.7 nM 537.62 COC[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL3319582 OBDepict O N H N H 3 C H N H O O H HN O H N O H CH 3 O IC50 = 13.0 nM 589.69 C[C@@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 Homo sapiens CHEMBL3371271 cell-based format
CHEMBL4462605 OBDepict O S O N O O CH 3 O IC50 = 13.0 nM 377.38 Cc1c(-c2nsc(=O)o2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 Homo sapiens CHEMBL4334826 single protein format
CHEMBL4591725 OBDepict O O CH 3 O IC50 = 13.0 nM 344.41 Cc1c(C2CCCC2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 Homo sapiens CHEMBL4403388 single protein format
CHEMBL4563115 OBDepict O NH H 3 C H HN H N H O S O O H 3 C N H O CH 3 H 3 C CH 3 IC50 = 14.0 nM 566.72 Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N[C@@H](C)C(=O)NCc2cccc3ccccc23)CC(=O)NC(C)(C)C)cc1 Homo sapiens CHEMBL4403386 cell-based format
CHEMBL3319583 OBDepict CH 3 O N H H HN O O H N H CH 3 H O H 3 C O O N O IC50 = 14.0 nM 580.68 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL3371271 cell-based format
CHEMBL4764833 OBDepict H 3 C O N H H N H O O N H H O NH O O O CH 3 H 3 C CH 3 H 3 C IC50 = 14.4 nM 556.66 COC[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc(OC)c1 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4592435 OBDepict O N H N H H H 3 C CH 3 H 3 C N H O S O O N H O F F IC50 = 15.0 nM 550.63 CC(C)(C)NC(=O)C[C@H](NS(=O)(=O)C1CC1)C(=O)NCCNC(=O)c1cc(-c2ccccc2F)ccc1F Homo sapiens CHEMBL4403386 cell-based format
CHEMBL4764229 OBDepict O N H N H H CH 3 H 3 C CH 3 N H O S O O CH 3 CH 3 H NH O F IC50 = 16.4 nM 570.69 Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2ccc(F)c3ccccc23)cc1 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4293877 OBDepict CH 3 CH 3 H H O O H HN O H N H O H 3 C CH 3 H O O H 3 C H 3 C IC50 = 18.6 nM 460.57 CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C)C(C)C Homo sapiens CHEMBL4275391 single protein format
CHEMBL4784421 OBDepict O N H N H H CH 3 H 3 C CH 3 N H O O CH 3 H N NH O O CH 3 F IC50 = 18.8 nM 525.58 Cc1cc(C(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2ccc(F)c3ccccc23)no1 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4846410 OBDepict CH 3 O N N H O H 3 C H NH O H N H O H O CH 3 O O H 3 C IC50 = 18.9 nM 594.71 COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)N2CCC(OC)CC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4838928 single protein format
CHEMBL4442152 OBDepict O HN H N H O NH H 3 C H 3 C H 3 C O N N H O NH O CH 3 IC50 = 19.0 nM 582.75 Cc1ccc(CNC(=O)[C@@H]2COCCCCCCCn3ccnc3C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N2)cc1 Homo sapiens CHEMBL4413416 single protein format
CHEMBL4764343 OBDepict O N H O N H H N H O H 3 C CH 3 H 3 C O H 3 C H N HN O O H 3 C IC50 = 19.4 nM 523.59 Cc1cc(C(=O)N[C@@H](CC(=O)NOC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2cccc3ccccc23)no1 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4762452 OBDepict O N H O N H H N H O H 3 C CH 3 H 3 C O CH 3 H HN O IC50 = 19.7 nM 560.7 C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCCc1ccccc1)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL484003 OBDepict CH 3 O N H H N H O O H NH H O O CH 3 O O CH 3 N O H 3 C IC50 = 21.0 nM 516.55 COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 Homo sapiens CHEMBL981240 single protein format
CHEMBL483738 OBDepict CH 3 O N H H N H O O H O HN O O N H 3 C O H H 3 C O CH 3 O CH 3 CH 3 IC50 = 22.0 nM 498.53 COC[C@H](NC(=O)c1cc(OC)no1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 Homo sapiens CHEMBL981240 single protein format
CHEMBL4454809 OBDepict CH 3 O N H H N H O O H N H CH 3 H O CH 3 O O H H OH IC50 = 23.0 nM 579.69 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H]2CC[C@H](O)CC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4411747 cell-based format
CHEMBL4870115 OBDepict H 3 C O H N N H O CH 3 H HN O H N H O H O H 3 C O O CH 3 IC50 = 25.1 nM 580.68 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CC[C@H](OC)C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4838928 single protein format
CHEMBL4795707 OBDepict O N H O N H H N H O CH 3 CH 3 CH 3 O H 3 C H NH O IC50 = 25.9 nM 532.64 C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)Cc1ccccc1)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4855915 OBDepict CH 3 O N N H O H 3 C H NH O H N H O H O CH 3 O O H 3 C IC50 = 26.0 nM 594.71 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CCC(OC)CC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4838928 single protein format
CHEMBL4749043 OBDepict O NH NH H 3 C H B H O OH HO H N O H 3 C IC50 = 28.0 nM 375.23 CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)B(O)O Homo sapiens CHEMBL4682120 single protein format
CHEMBL4747215 OBDepict O HN O HN H N H O CH 3 CH 3 H 3 C O H 3 C H HN O N H IC50 = 28.4 nM 535.65 C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2[nH]ccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4464640 OBDepict CH 3 O N H H N H O O H N H CH 3 H O H 3 C O O IC50 = 29.0 nM 563.7 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4411747 cell-based format
CHEMBL4877708 OBDepict H 3 C O H N N H O CH 3 H HN O H N H O H O H 3 C O O CH 3 IC50 = 29.9 nM 594.71 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CCC[C@@H](OC)C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4838928 single protein format
CHEMBL3319581 OBDepict O N H N H 3 C H N H O O H HN O H N O H CH 3 O IC50 = 32.0 nM 595.74 C[C@@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)[C@@]1(C)CO1 Homo sapiens CHEMBL3371271 cell-based format
CHEMBL4441524 OBDepict CH 3 O N H H N H O O H N H CH 3 H O H 3 C O O H H OH IC50 = 34.0 nM 569.7 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H]2CC[C@H](O)CC2)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4403380 single protein format
CHEMBL4793363 OBDepict CH 3 H 3 C N H H N H O O H N H H O NH O H 3 C CH 3 O O H 3 C CH 3 IC50 = 34.5 nM 594.75 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C(=O)Nc1ccccc1 Homo sapiens CHEMBL4739046 tissue-based format
CHEMBL4542139 OBDepict O NH H N H O HN H 3 C CH 3 H 3 C O H N N O HN O CH 3 H 3 C IC50 = 35.0 nM 596.77 Cc1ccc(CNC(=O)[C@@H]2COCCCCCCCc3c(cnn3C)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N2)cc1 Homo sapiens CHEMBL4413416 single protein format
CHEMBL3319577 OBDepict CH 3 O N H H HN O O H N H CH 3 H O H 3 C O O N O IC50 = 36.0 nM 586.73 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL3371271 cell-based format
CHEMBL483739 OBDepict CH 3 O N H H N H O O H HN H O O H 3 C O O H 3 C O N O CH 3 IC50 = 36.0 nM 532.55 COC[C@H](NC(=O)c1cc(OC)no1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 Homo sapiens CHEMBL981240 single protein format
CHEMBL4859284 OBDepict H 3 C O H N N H O CH 3 H HN O H N H O H O H 3 C O O CH 3 IC50 = 37.7 nM 594.71 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CCC[C@H](OC)C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4838928 single protein format
CHEMBL484004 OBDepict CH 3 O N H H N H O O H N HN O O O H 3 C O H O H 3 C CH 3 O CH 3 CH 3 IC50 = 41.0 nM 512.56 CCOc1cc(C(=O)N[C@@H](COC)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)no1 Homo sapiens CHEMBL981240 single protein format
CHEMBL4285979 OBDepict H 2 C O O N H H CH 3 H 3 C O N H H CH 3 H 3 C O H O H O H 3 C H CH 3 IC50 = 41.2 nM 410.51 C=CCOC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1OC(=O)[C@H]1[C@@H](C)CC)C(C)C)C(C)C Homo sapiens CHEMBL4275391 single protein format
CHEMBL4779742 OBDepict CH 3 O N H H N H O O N H H N O O IC50 = 44.0 nM 572.71 COC[C@H](NC(=O)[C@H](CC(=O)N1CCCCC1)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4876490 OBDepict CH 3 O N N H O H 3 C H NH O H N H O H O CH 3 O O H 3 C IC50 = 44.5 nM 580.68 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CCC(OC)C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4838928 single protein format
CHEMBL4286154 OBDepict CH 3 CH 3 N H H O O O N H H CH 3 H 3 C O H O H O CH 3 H 3 C IC50 = 44.7 nM 446.54 CC(C)[C@H](NC(=O)[C@@H]1OC(=O)[C@H]1C(C)C)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C Homo sapiens CHEMBL4275391 single protein format
CHEMBL4782050 OBDepict O NH H N H O N H O CH 3 H HN O H 3 C CH 3 H 3 C F IC50 = 50.8 nM 548.66 C[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1ccc(F)c2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4871470 OBDepict CH 3 O N N H O H 3 C H NH O H N H O H O CH 3 O O H 3 C IC50 = 56.8 nM 580.68 COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)N2CCC(OC)C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4838928 single protein format
CHEMBL4473920 OBDepict O N H N H CH 3 H O N H H N H O O H 3 C CH 3 H 3 C IC50 = 57.0 nM 544.7 C[C@@H](CC(=O)NCc1cccc2ccccc12)NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1 Homo sapiens CHEMBL4403386 cell-based format
CHEMBL3237873 OBDepict CH 3 H 3 C B N H H O O O CH 3 H NH H H H 3 C CH 3 H O CH 3 N H O O IC50 = 59.0 nM 583.58 CC(=O)N[C@@H](CC(=O)NCCCCOCc1ccccc1)C(=O)N[C@@H](CC(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 Homo sapiens CHEMBL3240089 single protein format
CHEMBL4873768 OBDepict CH 3 O N H H N H O O H N H CH 3 H O H 3 C O N O IC50 = 62.9 nM 550.66 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4838928 single protein format
CHEMBL4781914 OBDepict H 3 C CH 3 B N H H HO OH O HN CH 3 H O H N O H 3 C IC50 = 63.0 nM 341.22 CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)B(O)O Homo sapiens CHEMBL4682120 single protein format
CHEMBL4863741 OBDepict H 3 C O H N N H O CH 3 H HN O H N H O H O H 3 C O O CH 3 IC50 = 66.0 nM 580.68 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)N2CC[C@@H](OC)C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4838928 single protein format
CHEMBL483340 OBDepict CH 3 O N H H N H O O H NH H O O CH 3 O O CH 3 O N H 3 C IC50 = 82.0 nM 516.55 COC[C@H](NC(=O)c1cnc(C)o1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 Homo sapiens CHEMBL981240 single protein format
CHEMBL4443505 OBDepict H 3 C O N H H HN O O H N H CH 3 H O H 3 C O O N O IC50 = 83.0 nM 570.69 COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4403380 single protein format
CHEMBL4763630 OBDepict H 3 C O N H H NH O O NH H N O N H O O CH 3 CH 3 H 3 C IC50 = 83.7 nM 577.68 COC[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2cccnc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL484002 OBDepict CH 3 O N H H N H O O H HN H O O H 3 C O O H 3 C N O IC50 = 93.0 nM 502.52 COC[C@H](NC(=O)c1ccon1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 Homo sapiens CHEMBL981240 single protein format
CHEMBL4745016 OBDepict O NH O N H H HN O CH 3 H 3 C CH 3 O CH 3 H F F F N H O IC50 = 99.2 nM 510.51 C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)C(F)(F)F)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4442347 OBDepict O S O N O O CH 3 O IC50 = 106.0 nM 383.43 Cc1c(-c2nsc(=O)o2)c(=O)oc2cc3occ(C4CCCCC4)c3cc12 Homo sapiens CHEMBL4334826 single protein format
CHEMBL4465087 OBDepict O S O N O O CH 3 O IC50 = 120.0 nM 391.4 Cc1c(Cc2nsc(=O)o2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 Homo sapiens CHEMBL4403388 single protein format
CHEMBL4437031 OBDepict O S O N O O CH 3 O S IC50 = 141.0 nM 383.41 Cc1c(-c2nsc(=O)o2)c(=O)oc2cc3occ(-c4cccs4)c3cc12 Homo sapiens CHEMBL4334826 single protein format
CHEMBL4534031 OBDepict CH 3 O O CH 3 O N O S O IC50 = 174.0 nM 405.43 CCc1ccc(-c2coc3cc4oc(=O)c(-c5nsc(=O)o5)c(C)c4cc23)cc1 Homo sapiens CHEMBL4334826 single protein format
CHEMBL4483550 OBDepict F O O CH 3 O N O S O IC50 = 200.0 nM 395.37 Cc1c(-c2nsc(=O)o2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 Homo sapiens CHEMBL4334826 single protein format
CHEMBL2336253 OBDepict O S O N S CH 3 + N O _ O IC50 = 220.0 nM 244.25 Cc1sc(-c2nsc(=O)o2)cc1[N+](=O)[O-] Homo sapiens CHEMBL3266189 single protein format
CHEMBL4470789 OBDepict H 3 C O O O CH 3 O N O S O IC50 = 226.0 nM 407.4 COc1cccc(-c2coc3cc4oc(=O)c(-c5nsc(=O)o5)c(C)c4cc23)c1 Homo sapiens CHEMBL4334826 single protein format
CHEMBL4472970 OBDepict H 3 C O O O CH 3 O N O S O IC50 = 227.0 nM 407.4 COc1ccccc1-c1coc2cc3oc(=O)c(-c4nsc(=O)o4)c(C)c3cc12 Homo sapiens CHEMBL4334826 single protein format
CHEMBL484156 OBDepict CH 3 O N H H N H O O H N HN O O O H 3 C H 3 C H O CH 3 O CH 3 CH 3 IC50 = 238.0 nM 482.53 COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 Homo sapiens CHEMBL981240 single protein format
CHEMBL4875834 OBDepict CH 3 O N H H N H O O H N H CH 3 H O H 3 C O N O IC50 = 246.3 nM 550.66 COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)N2CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4838928 single protein format
CHEMBL4550864 OBDepict H 3 C O N H H N H O O H N H H 3 C H O H 3 C O O H H OH IC50 = 262.0 nM 557.69 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H]2CC[C@H](O)CC2)C(=O)N[C@@H](CC2CCC2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL4411747 cell-based format
CHEMBL4517653 OBDepict O S O N O O CH 3 O IC50 = 264.0 nM 369.4 Cc1c(-c2nsc(=O)o2)c(=O)oc2cc3occ(C4CCCC4)c3cc12 Homo sapiens CHEMBL4334826 single protein format
CHEMBL4863666 OBDepict CH 3 H 3 C N H H O H 3 C O O H HN O H N O O IC50 = 341.8 nM 569.74 CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCCCCCCCCC(=O)N2CCC[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1 Homo sapiens CHEMBL4829378 single protein format
CHEMBL4560024 OBDepict Br O O CH 3 O N O S O IC50 = 351.0 nM 456.27 Cc1c(-c2nsc(=O)o2)c(=O)oc2cc3occ(-c4ccc(Br)cc4)c3cc12 Homo sapiens CHEMBL4334826 single protein format
CHEMBL4578097 OBDepict H 3 C O O CH 3 O N O S O IC50 = 365.0 nM 391.4 Cc1cccc(-c2coc3cc4oc(=O)c(-c5nsc(=O)o5)c(C)c4cc23)c1 Homo sapiens CHEMBL4334826 single protein format
CHEMBL4877277 OBDepict O N H O NH H N H O O H O H 3 C O IC50 = 399.3 nM 589.73 C[C@]1(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccc(cc3)OCCCCCCCC(=O)N3CCC[C@H]3C(=O)N2)CO1 Homo sapiens CHEMBL4829378 single protein format
CHEMBL3265177 OBDepict O S O N + N O _ O Ki = 420.0 nM 224.2 O=c1oc(-c2cccc([N+](=O)[O-])c2)ns1 Homo sapiens CHEMBL3266190 single protein format
CHEMBL4283793 OBDepict NH 2 O N H H N H O O O H NH O HO O N H IC50 = 420.0 nM 573.61 NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc21)C(=O)NCc1ccccc1 Homo sapiens CHEMBL4255064 single protein format
CHEMBL4745162 OBDepict O N H O N H H N H O CH 3 CH 3 CH 3 O H 3 C H N NH O O IC50 = 424.0 nM 541.65 C[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CN1CCOCC1)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4559221 OBDepict O S O N O O H 3 C O IC50 = 433.0 nM 355.37 Cc1c(-c2nsc(=O)o2)c(=O)oc2cc3occ(C4CCC4)c3cc12 Homo sapiens CHEMBL4334826 single protein format
CHEMBL3237875 OBDepict CH 3 O N H H HN O O H N H CH 3 H O H 3 C O O N O IC50 = 450.0 nM 580.68 COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1 Homo sapiens CHEMBL3240089 single protein format
CHEMBL4798821 OBDepict H 3 C O N H H NH O O NH H O O N H O CH 3 O O H 3 C CH 3 CH 3 H 3 C IC50 = 479.0 nM 586.69 COC[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc(OC)c1OC Homo sapiens CHEMBL4704260 single protein format
CHEMBL4754559 OBDepict H 3 C O N H H NH O O NH H NH O N H O O CH 3 CH 3 H 3 C IC50 = 501.0 nM 581.71 COC[C@H](NC(=O)[C@H](CC(=O)NOC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2c1NCCC2 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4744524 OBDepict H 3 C O N H H N H O O NH H N O O IC50 = 512.0 nM 558.68 COC[C@H](NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL3259882 OBDepict H 3 C N H O H N H O N O S O Ki = 520.0 nM 383.43 CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nsc(=O)o2)cc1 Homo sapiens CHEMBL3266190 single protein format
CHEMBL4753220 OBDepict O N H H NH O NH O H 3 C H N H O O IC50 = 527.0 nM 530.62 C[C@H](NC(=O)[C@H](CC(=O)NC1COC1)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL4704260 single protein format
CHEMBL4294367 OBDepict O NH O H HN O HO CH 3 H HN O HO O NH IC50 = 572.0 nM 560.61 CC(O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc21)C(=O)NCc1ccccc1 Homo sapiens CHEMBL4255064 single protein format
CHEMBL484157 OBDepict CH 3 O N H H N H O O H N H H O O CH 3 O H 3 C CH 3 O CH 3 N O IC50 = 607.0 nM 468.51 COC[C@H](NC(=O)c1ccon1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 Homo sapiens CHEMBL981240 single protein format
CHEMBL4092241 OBDepict H N H H N IC50 = 630.0 nM 382.64 C1=C2CN3CCCC/C=CCC[C@@H]4CN(CCCC/C=CCC[C@H]1C3)CC[C@@H]24 Homo sapiens CHEMBL4310878 cell-based format