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P07858 | CATB_HUMAN | Cathepsin B (CTSB)

3D structures mapped by conservation among orthologs

[ Domain: "Cysteine proteinases" // Peptidase_C1 ]

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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
CHEMBL190121 OBDepict H O H 3 C NH O N CH 3 N Ki = 0.077 nM 239.32 C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N Homo sapiens CHEMBL839666 single protein format
CHEMBL191558 OBDepict H 3 C O H N H O N H 3 C N Ki = 0.25 nM 247.3 CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N Homo sapiens CHEMBL839666 single protein format
CHEMBL1651361 OBDepict N N N CH 3 CH 3 O N H H O CH 3 H 3 C N N O S Ki = 0.36 nM 452.54 CC(C)C[C@H](NC(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655228 single protein format
CHEMBL1651353 OBDepict N N N H 3 C H 3 C O NH H O O OH Ki = 0.38 nM 382.42 CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL1655228 single protein format
CHEMBL3342185 OBDepict N N HN N O O O CH 3 CH 3 CH 3 Ki = 0.406 nM 394.48 CC(C)(C)OC(=O)NN(C#N)CC(=O)N(Cc1ccccc1)Cc1ccccc1 Homo sapiens CHEMBL3382372 single protein format
CHEMBL608115 OBDepict N N N H 3 C H 3 C O N H H O O H 3 C CH 3 Ki = 0.43 nM 332.4 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655228 single protein format
CHEMBL3342184 OBDepict N N HN N O O O H 3 C CH 3 CH 3 CH 3 Ki = 0.459 nM 318.38 CN(Cc1ccccc1)C(=O)CN(C#N)NC(=O)OC(C)(C)C Homo sapiens CHEMBL3382372 single protein format
CHEMBL1651352 OBDepict N N N CH 3 CH 3 O N H H O O Ki = 0.48 nM 372.47 CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL1655228 single protein format
CHEMBL1651354 OBDepict N N N H 3 C H 3 C O N H H HN O H 3 C CH 3 Ki = 0.65 nM 331.42 CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655228 single protein format
CHEMBL604281 OBDepict N N N CH 3 CH 3 O HN H O O Ki = 0.68 nM 366.42 CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL1655228 single protein format
CHEMBL4442025 OBDepict N N N H 3 C CH 3 O HN O CH 3 CH 3 Ki = 0.69 nM 454.57 CC(C)CC(NC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL4342534 assay format
CHEMBL1651351 OBDepict H 3 C CH 3 H N H H N O N CH 3 O O CH 3 N Ki = 0.88 nM 332.4 CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655228 single protein format
CHEMBL390474 OBDepict O O N H H O H 3 C H 3 C IC50 = 1.0 nM 247.29 Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C Homo sapiens CHEMBL907570 single protein format
CHEMBL314442 OBDepict CH 3 N H H O HO O NH H O H 3 C CH 3 N H H O CH 3 CH 3 H 3 C Ki = 1.0 nM 399.53 CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)O Homo sapiens CHEMBL662616 single protein format
CHEMBL1651355 OBDepict N N N CH 3 CH 3 O NH H NH O H 3 C H 3 C Ki = 1.3 nM 317.39 CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655228 single protein format
CHEMBL371420 OBDepict H O H 3 C NH O N H 3 C H 3 C N Ki = 1.3 nM 267.37 CC(C)N(C#N)NC(=O)O[C@@H](C)CC1CCCCC1 Homo sapiens CHEMBL839666 single protein format
CHEMBL1651357 OBDepict N N N CH 3 H 3 C O HN H HN O CH 3 CH 3 N N O S Ki = 1.3 nM 481.58 CC(C)C[C@H](NC(=O)NCc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655228 single protein format
CHEMBL271004 OBDepict H 3 C N H H O N O O N O NH H O O O H 3 C H 3 C Ki = 2.0 nM 524.57 CCCC[C@H](NC(=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1 Homo sapiens CHEMBL949946 assay format
CHEMBL4440655 OBDepict N N N CH 3 CH 3 O NH O H 3 C CH 3 Br Ki = 2.0 nM 381.27 CC(C)CC(NC(=O)c1ccc(Br)cc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL4342534 assay format
CHEMBL138499 OBDepict N N H H O O HN H O F CH 3 O HO Cl IC50 = 2.0 nM 537.98 Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1 Homo sapiens CHEMBL657288 assay format
CHEMBL390475 OBDepict O O N H H O IC50 = 2.0 nM 233.27 O=C1O[C@@H]2CN1CC[C@@H]2OCc1ccccc1 Homo sapiens CHEMBL907570 single protein format
CHEMBL490920 OBDepict H 3 C HN O H O H NH O H H 3 C H N O CH 3 H O HO IC50 = 2.24 nM 383.45 CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC Homo sapiens CHEMBL4342529 single protein format
CHEMBL4533469 OBDepict CH 3 O O H O H NH O H H 3 C H N O CH 3 H O HO IC50 = 2.28 nM 370.4 CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC Homo sapiens CHEMBL4342529 single protein format
CHEMBL1651349 OBDepict N N N CH 3 H 3 C O HN H N H O H 3 C CH 3 N N O CH 3 Ki = 2.4 nM 399.46 Cc1nc(-c2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1 Homo sapiens CHEMBL1655228 single protein format
CHEMBL1651350 OBDepict N N N H 3 C CH 3 O N H H N H O H 3 C CH 3 N N O S Ki = 2.4 nM 467.56 CC(C)C[C@H](NC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655228 single protein format
CHEMBL183812 OBDepict N N O O H 3 C H IC50 = 2.4 nM 250.34 C[C@@H](CC1CCCCC1)OC(=O)C1CCN1C#N Homo sapiens CHEMBL833000 single protein format
CHEMBL1651356 OBDepict N N N H 3 C CH 3 O NH H NH O H 3 C H 3 C N N O CH 3 Ki = 2.8 nM 413.48 Cc1nc(-c2ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1 Homo sapiens CHEMBL1655228 single protein format
CHEMBL222649 OBDepict H 3 C CH 3 N H H NH O N O H S O O O IC50 = 3.0 nM 527.69 CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1 Homo sapiens CHEMBL2384041 single protein format
CHEMBL521636 OBDepict H 3 C O N H N O H Cl + N O _ O H 3 C CH 3 H 3 C IC50 = 3.11 nM 413.86 CC(=O)c1c(Nc2ccc(C(C)(C)C)cc2)[nH]c2c(Cl)cc([N+](=O)[O-])cc2c1=O Homo sapiens CHEMBL1021958 assay format
CHEMBL418661 OBDepict H HN NH O O CH 3 CH 3 H O H CH 3 H 3 C O HO Ki = 3.36 nM 314.38 CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)O Homo sapiens CHEMBL1952736 single protein format
CHEMBL3342183 OBDepict N N NH O O N O CH 3 CH 3 CH 3 O Ki = 3.56 nM 284.32 CC(C)(C)OC(=O)NN(C#N)CC(=O)N1CCOCC1 Homo sapiens CHEMBL3382372 single protein format
CHEMBL89100 OBDepict O NH H O N H H S O N H O O CH 3 S O O Ki = 4.0 nM 525.65 CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](C=O)CCCCNS(=O)(=O)c1ccccc1 Homo sapiens CHEMBL662618 assay format
CHEMBL131688 OBDepict N N H H O O NH H H 3 C F O OH O O IC50 = 4.1 nM 531.54 Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)OC3)C(=O)N[C@H](C#N)COCc2ccc(F)c(C(=O)O)c2)c1 Homo sapiens CHEMBL659823 single protein format
CHEMBL1651242 OBDepict H HN N O H 3 C CH 3 N CH 3 O O CH 3 N Ki = 4.3 nM 318.38 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655228 single protein format
CHEMBL133728 OBDepict N N H H O O HN H CH 3 O HO O N O CH 3 IC50 = 4.9 nM 540.58 Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)N(C)C3=O)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1 Homo sapiens CHEMBL659823 single protein format
CHEMBL336228 OBDepict N N H H O O N H H O H 3 C O HO IC50 = 5.0 nM 575.67 Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1 Homo sapiens CHEMBL657288 assay format
CHEMBL230474 OBDepict O O N H H O IC50 = 5.0 nM 219.24 O=C1O[C@@H]2CN1CC[C@@H]2Oc1ccccc1 Homo sapiens CHEMBL907570 single protein format
CHEMBL335426 OBDepict N N H H O O HN H N CH 3 N O O N N IC50 = 5.0 nM 537.58 Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)OC3)C(=O)N[C@H](C#N)COCc2cccc(-n3cnnn3)c2)c1 Homo sapiens CHEMBL659823 single protein format
CHEMBL4459206 OBDepict N N N H 3 C CH 3 O HN O CH 3 CH 3 N Ki = 5.0 nM 379.46 CC(C)CC(NC(=O)c1cccc(-c2ccncc2)c1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL4342534 assay format
CHEMBL191881 OBDepict O NH H O N H H N H O H 3 C CH 3 HN H 2 N HN H O CH 3 CH 3 H 3 C Ki = 5.0 nM 426.56 CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N Homo sapiens CHEMBL2388562 assay format
CHEMBL437251 OBDepict N N H H O O NH H H 3 C O OH O IC50 = 5.3 nM 511.58 Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)CC3)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1 Homo sapiens CHEMBL659823 single protein format
CHEMBL131732 OBDepict N N H H O O NH H H 3 C O OH O O H 3 C CH 3 IC50 = 5.3 nM 541.6 Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)OC3(C)C)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1 Homo sapiens CHEMBL659823 single protein format
CHEMBL344035 OBDepict N NH H O HN H O H 3 C O OH IC50 = 5.6 nM 569.66 Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@H](C#N)CC#Cc2cccc(C(=O)O)c2)c1 Homo sapiens CHEMBL657288 assay format
CHEMBL2153161 OBDepict N N N H 3 C CH 3 O NH H S O O CH 3 CH 3 O Ki = 5.8 nM 380.47 CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL2157198 single protein format
CHEMBL114388 OBDepict H 3 C CH 3 NH H HN O O O H N H O CH 3 CH 3 B H OH HO CH 3 H 3 C Ki = 6.1 nM 491.44 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)B(O)O Homo sapiens CHEMBL659836 single protein format
CHEMBL336539 OBDepict N N H H O O NH H H 3 C O OH O O IC50 = 6.5 nM 513.55 Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)OC3)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1 Homo sapiens CHEMBL659823 single protein format
CHEMBL134083 OBDepict N N H H O O HN H O F CH 3 O HO F IC50 = 6.8 nM 521.52 Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1 Homo sapiens CHEMBL657288 assay format
CHEMBL171403 OBDepict O NH O H N H O CH 3 H 3 C H N H N Ki = 7.0 nM 556.75 CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1 Homo sapiens CHEMBL657184 single protein format
CHEMBL230478 OBDepict H 3 C CH 3 O H H O N O IC50 = 8.0 nM 199.25 CC(C)CO[C@H]1CCN2C[C@H]1OC2=O Homo sapiens CHEMBL907570 single protein format
CHEMBL3907022 OBDepict O N H O H HN O CH 3 H + N O _ O Ki = 8.0 nM 397.43 C[C@@H](/C=C/[N+](=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL3865402 single protein format
CHEMBL336115 OBDepict CH 3 O O NH H N H O H O N CH 3 O OH IC50 = 8.6 nM 515.57 COC(=O)c1cccc(N[C@@H](Cc2cccc(C)c2)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1 Homo sapiens CHEMBL659823 single protein format
CHEMBL334879 OBDepict N N H H O O N H H CH 3 Cl O HO IC50 = 8.7 nM 491.98 Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@H](C#N)COCc2ccc(Cl)c(C(=O)O)c2)c1 Homo sapiens CHEMBL659823 single protein format
CHEMBL4746374 OBDepict N N H H O CH 3 H O NH H O Cl N IC50 = 9.01 nM 553.06 C[C@@H](OCc1ccccc1)[C@@H](C#N)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(-c2cccnc2)c1 Homo sapiens CHEMBL4678407 single protein format
CHEMBL335407 OBDepict N N H H O O NH H H 3 C O OH O N H 3 C IC50 = 9.3 nM 526.59 Cc1cccc(C[C@H](Nc2ccc3c(c2)C(=O)N(C)C3)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1 Homo sapiens CHEMBL659823 single protein format
CHEMBL337090 OBDepict N N H H O O HN H O CH 3 O HO IC50 = 9.4 nM 485.54 Cc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1 Homo sapiens CHEMBL657288 assay format
CHEMBL336436 OBDepict N NH H O O N H H O CH 3 IC50 = 10.2 nM 531.66 Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@H](C#N)COCc2ccccc2)c1 Homo sapiens CHEMBL657288 assay format
CHEMBL493039 OBDepict N N N O HN CH 3 H 3 C O O IC50 = 11.0 nM 344.42 CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCCCN1C#N Homo sapiens CHEMBL1016567 single protein format
CHEMBL138661 OBDepict N N H O HN H O H 3 C CH 3 IC50 = 11.9 nM 425.53 Cc1cc(C)cc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1 Homo sapiens CHEMBL657288 assay format
CHEMBL4582255 OBDepict N N H O HN H O CH 3 CH 3 IC50 = 11.9 nM 425.53 Cc1ccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)cc1C Homo sapiens CHEMBL4342533 assay format
CHEMBL172456 OBDepict CH 3 S N H H N H O O O H NH N Ki = 12.0 nM 588.82 CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1 Homo sapiens CHEMBL657184 single protein format
CHEMBL133107 OBDepict N N H H O O N H H CH 3 F O HO IC50 = 12.2 nM 475.52 Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@H](C#N)COCc2ccc(F)c(C(=O)O)c2)c1 Homo sapiens CHEMBL659823 single protein format
CHEMBL393354 OBDepict H 3 C NH H O N H O O S O O N H CH 3 CH 3 CH 3 N N N IC50 = 13.0 nM 556.69 CCCC[C@H](NC(=O)O[C@H](Cn1ccc(-c2ccncc2)n1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 Homo sapiens CHEMBL891431 single protein format
CHEMBL133744 OBDepict N N H H O O NH H S CH 3 O OH O O H 3 C IC50 = 13.3 nM 535.62 Cc1cccc(C[C@H](Nc2cccc(S(C)(=O)=O)c2)C(=O)N[C@H](C#N)COCc2cccc(C(=O)O)c2)c1 Homo sapiens CHEMBL659823 single protein format
CHEMBL203665 OBDepict H 3 C CH 3 N H H N H O O H O O N H CH 3 S O O N IC50 = 14.0 nM 540.64 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O Homo sapiens CHEMBL945091 cell-based format
CHEMBL492175 OBDepict Cl N H N H O H 3 C O Cl + N O _ O IC50 = 14.2 nM 392.2 CC(=O)c1c(Nc2ccc(Cl)cc2)[nH]c2c(Cl)cc([N+](=O)[O-])cc2c1=O Homo sapiens CHEMBL1021958 assay format
CHEMBL374508 OBDepict H 3 C CH 3 N H H N H O O H O H O OH N H 2 N H 2 N IC50 = 16.0 nM 357.41 CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)NCCCCN=C(N)N Homo sapiens CHEMBL657293 single protein format
CHEMBL3359772 OBDepict CH 3 N H H O N H O O N H CH 3 H O NH H O IC50 = 16.0 nM 562.71 CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NC1CCCCC1 Homo sapiens CHEMBL3375305 single protein format
CHEMBL334631 OBDepict N N H H O O NH H N CH 3 N N N IC50 = 16.5 nM 481.56 Cc1cccc(C[C@H](Nc2ccccc2)C(=O)N[C@H](C#N)COCc2cccc(-n3cnnn3)c2)c1 Homo sapiens CHEMBL659823 single protein format
CHEMBL140506 OBDepict N NH H O O N H H O F CH 3 Cl IC50 = 16.9 nM 493.97 Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)N[C@H](C#N)COCc2ccccc2)c1 Homo sapiens CHEMBL657288 assay format
CHEMBL426819 OBDepict N N H O N H O N S N N H 3 C IC50 = 17.0 nM 466.61 CN1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1 Homo sapiens CHEMBL864509 cell-based format
CHEMBL418606 OBDepict CH 3 CH 3 HN H O HO O NH H O O IC50 = 17.7 nM 412.49 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O Homo sapiens CHEMBL659816 single protein format
CHEMBL423112 OBDepict O NH O NH H CH 3 CH 3 O O Ki = 18.0 nM 382.46 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccccc1 Homo sapiens CHEMBL874513 single protein format
CHEMBL203663 OBDepict H 3 C N H H N O O NH H N O CH 3 CH 3 O IC50 = 18.0 nM 432.57 CCCC[C@@H](/C=N/NC(=O)N1CCOCC1)NC(=O)O[C@H](Cc1ccccc1)C(C)C Homo sapiens CHEMBL868300 single protein format
CHEMBL343759 OBDepict N N H H O N H H O H 3 C O HO IC50 = 18.0 nM 573.69 Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@H](C#N)CCCc2cccc(C(=O)O)c2)c1 Homo sapiens CHEMBL657288 assay format
CHEMBL206243 OBDepict O NH H O O O CH 3 H 3 C Ki = 20.0 nM 367.45 CC(C)C(C(=O)N[C@H](C=O)Cc1ccccc1)C(=O)OCc1ccccc1 Homo sapiens CHEMBL863793 assay format
CHEMBL234367 OBDepict CH 3 N H H O HN O O O N H H N H 3 C H 3 C H 3 C N N F F F IC50 = 20.0 nM 562.59 CCCC[C@H](NC(=O)O[C@H](Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 Homo sapiens CHEMBL891431 single protein format
CHEMBL3359790 OBDepict O HN H H 3 C CH 3 H 3 C HN O CH 3 H N H O H O H 3 C CH 3 O H 2 N IC50 = 20.0 nM 432.52 CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(N)=O Homo sapiens CHEMBL3374744 assay format
CHEMBL88895 OBDepict O N H H O N H H S O O CH 3 S Ki = 23.0 nM 380.49 CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@H](C=O)Cc1ccccc1 Homo sapiens CHEMBL662618 assay format
CHEMBL521987 OBDepict N N N O N H CH 3 CH 3 F F F IC50 = 23.0 nM 354.38 CC(C)C(Nc1cccc(C(F)(F)F)c1)C(=O)N1CCCCN1C#N Homo sapiens CHEMBL1016567 single protein format
CHEMBL1791004 OBDepict O N H H O HN H N H 3 C H S H H 3 C O O IC50 = 23.0 nM 491.61 CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL657293 single protein format
CHEMBL286722 OBDepict O N H H O N H H CH 3 H 3 C O O Ki = 24.0 nM 382.46 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1 Homo sapiens CHEMBL662618 assay format
CHEMBL184859 OBDepict N HN O N H H H 3 C CH 3 N HN IC50 = 26.0 nM 405.55 CC(C)C[C@H](Nc1ccc(-c2ccc(N3CCNCC3)cc2)cc1)C(=O)NCC#N Homo sapiens CHEMBL827904 single protein format
CHEMBL77784 OBDepict CH 3 HN O H 2 N O N CH 3 CH 3 Ki = 27.0 nM 393.53 CCCCC(NC(=O)c1ccccc1/C=C/c1ccc(CN(C)C)cc1)C(N)=O Homo sapiens CHEMBL874513 single protein format
CHEMBL113948 OBDepict CH 3 HN H O O O H H 3 C H 3 C IC50 = 27.0 nM 305.42 CCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C Homo sapiens CHEMBL868300 single protein format
CHEMBL1288525 OBDepict N HN H O N H H H F CH 3 H 3 C F F F O H 2 N IC50 = 27.0 nM 594.65 CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2)cc1)C(F)(F)F)C(=O)N[C@H](C#N)Cc1ccccc1 Homo sapiens CHEMBL1290877 cell-based format
CHEMBL343423 OBDepict N N H H O O N H H O CH 3 OH IC50 = 29.0 nM 561.68 Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@H](C#N)COCc2cccc(CO)c2)c1 Homo sapiens CHEMBL657288 assay format
CHEMBL136252 OBDepict O N H H O HN H N CH 3 H 3 C S H O O IC50 = 30.0 nM 477.59 CC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL657293 single protein format
CHEMBL336458 OBDepict N N H H O O NH H O H 3 C O OH IC50 = 30.7 nM 575.67 Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@H](C#N)COCc2ccc(C(=O)O)cc2)c1 Homo sapiens CHEMBL657288 assay format
CHEMBL336474 OBDepict N HN O N H H O CH 3 Cl Cl IC50 = 31.3 nM 390.27 Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(=O)NCC#N)c1 Homo sapiens CHEMBL657288 assay format
CHEMBL315636 OBDepict O N H H O HN H S O O O CH 3 Ki = 32.0 nM 404.49 CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1 Homo sapiens CHEMBL662619 assay format
CHEMBL492619 OBDepict N N N O N H CH 3 CH 3 Cl IC50 = 32.0 nM 320.82 CC(C)C(Nc1cccc(Cl)c1)C(=O)N1CCCCN1C#N Homo sapiens CHEMBL1016567 single protein format
CHEMBL493038 OBDepict N N N O N H CH 3 CH 3 CH 3 IC50 = 32.0 nM 300.41 Cc1cccc(NC(C(=O)N2CCCCN2C#N)C(C)C)c1 Homo sapiens CHEMBL1016567 single protein format
CHEMBL3974129 OBDepict _ O + N O N H H O N H H O O Ki = 34.0 nM 487.56 O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/[N+](=O)[O-])CCc1ccccc1)OCc1ccccc1 Homo sapiens CHEMBL3865402 single protein format
CHEMBL3893204 OBDepict N N N N H N N NH + N O _ O IC50 = 34.0 nM 326.32 N#Cc1nc(Nc2cccc([N+](=O)[O-])c2)nc(N2CCNCC2)n1 Homo sapiens CHEMBL3862383 single protein format
CHEMBL141793 OBDepict CH 3 NH O H N H O H O N CH 3 O OH IC50 = 35.7 nM 465.55 CCCCC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)N[C@H](C#N)COCc1cccc(C(=O)O)c1 Homo sapiens CHEMBL657288 assay format
CHEMBL493018 OBDepict N N N O N H H 3 C CH 3 O O CH 3 CH 3 H 3 C IC50 = 38.0 nM 310.4 CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCCN1C#N Homo sapiens CHEMBL1016567 single protein format
CHEMBL87146 OBDepict O N H H O H N S H O O O S O O IC50 = 38.0 nM 542.64 O=C[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccccc2)CN1S(=O)(=O)c1ccccc1 Homo sapiens CHEMBL659815 single protein format
CHEMBL477531 OBDepict N N H O N H O CH 3 CH 3 IC50 = 40.0 nM 425.53 Cc1cc(C)cc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1 Homo sapiens CHEMBL1004869 single protein format
CHEMBL502439 OBDepict N NH N O CH 3 H 3 C N N IC50 = 40.0 nM 311.39 CC(C)C(Nc1cccc(C#N)c1)C(=O)N1CCCCN1C#N Homo sapiens CHEMBL1016567 single protein format
CHEMBL232713 OBDepict H 3 C N H H O NH O O S O O N H H 3 C H 3 C CH 3 N N Cl Cl IC50 = 40.0 nM 598.55 CCCC[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc21)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 Homo sapiens CHEMBL891431 single protein format