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P43235 | CATK_HUMAN | Cathepsin K (CTSK)

3D structures mapped by conservation among orthologs

[ Domain: "Cysteine proteinases" // Peptidase_C1 ]

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[ Domain: "Peptidase inhibitors family I29" // Inhibitor_I29 ]

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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
CHEMBL190544 OBDepict CH 3 N HN N O O CH 3 H Ki = 0.003 nM 253.35 CCN(C#N)NC(=O)O[C@@H](C)CC1CCCCC1 Homo sapiens CHEMBL839667 single protein format
CHEMBL384685 OBDepict N N N N H N H O CH 3 CH 3 H 3 C O N N IC50 = 0.003 nM 447.54 CC(C)(C)CNc1nc(C#N)ncc1C(=O)NCCc1cccc(OCCn2ccnc2)c1 Homo sapiens CHEMBL911395 single protein format
CHEMBL220496 OBDepict CH 3 O N H O N HN N N CH 3 CH 3 CH 3 IC50 < 0.003 nM 367.45 COc1ccc(CCNC(=O)c2cnc(C#N)nc2NCC(C)(C)C)cc1 Homo sapiens CHEMBL911395 single protein format
CHEMBL221707 OBDepict CH 3 O N H O N NH N N H 3 C H 3 C CH 3 IC50 < 0.003 nM 367.45 COc1cccc(CCNC(=O)c2cnc(C#N)nc2NCC(C)(C)C)c1 Homo sapiens CHEMBL911395 single protein format
CHEMBL218007 OBDepict N N N HN N H O CH 3 CH 3 CH 3 O N N IC50 = 0.003 nM 447.54 CC(C)(C)CNc1nc(C#N)ncc1C(=O)NCCc1ccc(OCCn2ccnc2)cc1 Homo sapiens CHEMBL911395 single protein format
CHEMBL192995 OBDepict H O H 3 C NH O N N H 3 C CH 3 Ki = 0.004 nM 281.4 CC(C)CN(C#N)NC(=O)O[C@@H](C)CC1CCCCC1 Homo sapiens CHEMBL839667 single protein format
CHEMBL193095 OBDepict H 3 C N NH N O O H 3 C H Ki = 0.004 nM 267.37 CCCN(C#N)NC(=O)O[C@@H](C)CC1CCCCC1 Homo sapiens CHEMBL839667 single protein format
CHEMBL195454 OBDepict N N H O NH H H H 3 C CH 3 F F F N HN IC50 <= 0.005 nM 487.57 CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(N3CCNCC3)cc2)cc1)C(F)(F)F)C(=O)NCC#N Homo sapiens CHEMBL880626 single protein format
CHEMBL433967 OBDepict N N N H O O H 3 C H Ki = 0.006 nM 315.42 C[C@@H](CC1CCCCC1)OC(=O)NN(C#N)Cc1ccccc1 Homo sapiens CHEMBL839667 single protein format
CHEMBL190063 OBDepict CH 3 N N H N O O CH 3 H Ki = 0.007 nM 281.4 CCCCN(C#N)NC(=O)O[C@@H](C)CC1CCCCC1 Homo sapiens CHEMBL839667 single protein format
CHEMBL190121 OBDepict H O H 3 C NH O N CH 3 N Ki = 0.009 nM 239.32 C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N Homo sapiens CHEMBL839667 single protein format
CHEMBL385632 OBDepict N N N HN N H O O H 3 C IC50 = 0.009 nM 379.46 COc1cccc(CCNC(=O)c2cnc(C#N)nc2NC2CCCCC2)c1 Homo sapiens CHEMBL911395 single protein format
CHEMBL386506 OBDepict N N N N H NH O IC50 = 0.01 nM 349.44 N#Cc1ncc(C(=O)NCCc2ccccc2)c(NC2CCCCC2)n1 Homo sapiens CHEMBL911395 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 = 0.011 nM 331.42 CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655227 single protein format
CHEMBL374890 OBDepict N N N HN NH O CH 3 CH 3 CH 3 N N H 3 C IC50 = 0.011 nM 449.6 CN1CCN(Cc2ccc(CCNC(=O)c3cnc(C#N)nc3NCC(C)(C)C)cc2)CC1 Homo sapiens CHEMBL911395 single protein format
CHEMBL414530 OBDepict N N N NH N H O H 3 C CH 3 H 3 C N N CH 3 IC50 = 0.011 nM 435.58 CN1CCN(c2cccc(CCNC(=O)c3cnc(C#N)nc3NCC(C)(C)C)c2)CC1 Homo sapiens CHEMBL911395 single protein format
CHEMBL449096 OBDepict N N N HN NH O CH 3 CH 3 CH 3 O N H 3 C IC50 = 0.013 nM 450.59 CN1CCC(Oc2ccc(CCNC(=O)c3cnc(C#N)nc3NCC(C)(C)C)cc2)CC1 Homo sapiens CHEMBL911395 single protein format
CHEMBL480317 OBDepict N N H O HN H O CH 3 CH 3 N HN IC50 = 0.015 nM 433.56 CC(C)C[C@H](NC(=O)c1ccc(-c2ccc(N3CCNCC3)cc2)cc1)C(=O)NCC#N Homo sapiens CHEMBL982026 single protein format
CHEMBL1651355 OBDepict N N N CH 3 CH 3 O NH H NH O H 3 C H 3 C Ki = 0.017 nM 317.39 CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655227 single protein format
CHEMBL371420 OBDepict H O H 3 C NH O N H 3 C H 3 C N Ki = 0.019 nM 267.37 CC(C)N(C#N)NC(=O)O[C@@H](C)CC1CCCCC1 Homo sapiens CHEMBL839667 single protein format
CHEMBL218024 OBDepict N N N NH N H O O CH 3 IC50 = 0.022 nM 379.46 COc1ccc(CCNC(=O)c2cnc(C#N)nc2NC2CCCCC2)cc1 Homo sapiens CHEMBL911395 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 = 0.022 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 CHEMBL1655227 single protein format
CHEMBL220760 OBDepict N N N NH HN O H 3 C H 3 C CH 3 N N CH 3 IC50 = 0.025 nM 435.58 CN1CCN(c2ccc(CCNC(=O)c3cnc(C#N)nc3NCC(C)(C)C)cc2)CC1 Homo sapiens CHEMBL911395 single protein format
CHEMBL436303 OBDepict CH 3 O O N N H N O N NH N N H 3 C H 3 C CH 3 IC50 = 0.031 nM 477.57 COc1ccc(CCNC(=O)c2cnc(C#N)nc2NCC(C)(C)C)cc1OCCn1ccnc1 Homo sapiens CHEMBL911395 single protein format
CHEMBL191558 OBDepict H 3 C O H N H O N H 3 C N Ki = 0.032 nM 247.3 CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N Homo sapiens CHEMBL839667 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 = 0.032 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 CHEMBL1655227 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 = 0.045 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 CHEMBL1655227 single protein format
CHEMBL219536 OBDepict N N N HN N H O N N H 3 C IC50 = 0.047 nM 447.59 CN1CCN(c2ccc(CCNC(=O)c3cnc(C#N)nc3NC3CCCCC3)cc2)CC1 Homo sapiens CHEMBL911395 single protein format
CHEMBL183812 OBDepict N N O O H 3 C H IC50 = 0.048 nM 250.34 C[C@@H](CC1CCCCC1)OC(=O)C1CCN1C#N Homo sapiens CHEMBL833001 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 = 0.064 nM 332.4 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655227 single protein format
CHEMBL1651352 OBDepict N N N CH 3 CH 3 O N H H O O Ki = 0.071 nM 372.47 CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL1655227 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 = 0.072 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 CHEMBL1655227 single protein format
CHEMBL203944 OBDepict CH 3 O HN H F F F H N H O CH 3 CH 3 N IC50 = 0.1 nM 433.47 COc1ccc(-c2ccc([C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL864424 single protein format
CHEMBL382576 OBDepict N N H O N H H H H 3 C CH 3 F F F F IC50 = 0.1 nM 421.44 CC(C)C[C@H](N[C@@H](c1ccc(-c2ccccc2F)cc1)C(F)(F)F)C(=O)NCC#N Homo sapiens CHEMBL864424 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 = 0.11 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 CHEMBL1655227 single protein format
CHEMBL4228926 OBDepict H N H N H O O CH 3 H 3 C N S O O IC50 = 0.11 nM 467.59 CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1(C#N)CCS(=O)(=O)CC1 Homo sapiens CHEMBL4223222 single protein format
CHEMBL92708 OBDepict CH 3 N H H O O HN H O O CH 3 CH 3 IC50 = 0.11 nM 362.47 CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL656676 single protein format
CHEMBL114462 OBDepict CH 3 N H H O O O H CH 3 IC50 = 0.13 nM 291.39 CCCC[C@@H](C=O)NC(=O)O[C@@H](CC)Cc1ccccc1 Homo sapiens CHEMBL656686 single protein format
CHEMBL604281 OBDepict N N N CH 3 CH 3 O HN H O O Ki = 0.14 nM 366.42 CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL1655227 single protein format
CHEMBL1651353 OBDepict N N N H 3 C H 3 C O NH H O O OH Ki = 0.16 nM 382.42 CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL1655227 single protein format
CHEMBL286364 OBDepict H 3 C CH 3 N H H N H O O H O O N S O O N Ki = 0.16 nM 526.62 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O Homo sapiens CHEMBL820317 single protein format
CHEMBL474438 OBDepict O NH O H N H O F H 3 C H 3 C H O N S O O N IC50 = 0.16 nM 544.61 CC(C)(F)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O Homo sapiens CHEMBL992195 single protein format
CHEMBL481611 OBDepict H HN F F F H N H O F CH 3 CH 3 N S O O CH 3 Ki = 0.18 nM 525.57 CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL4253865 single protein format
CHEMBL399733 OBDepict H HN F F F H NH O F F CH 3 N S O O CH 3 IC50 = 0.2 nM 583.62 CC(F)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1 Homo sapiens CHEMBL945079 single protein format
CHEMBL207554 OBDepict H HN F F F H NH O CH 3 CH 3 N S O O NH 2 IC50 = 0.2 nM 482.53 CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NCC#N Homo sapiens CHEMBL864424 single protein format
CHEMBL437501 OBDepict H HN F F F H NH O CH 3 CH 3 N S O O CH 3 IC50 = 0.2 nM 481.54 CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NCC#N Homo sapiens CHEMBL864424 single protein format
CHEMBL437694 OBDepict CH 3 S HN H F F F H N H O CH 3 CH 3 N IC50 = 0.2 nM 449.54 CSc1ccc(-c2ccc([C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL864424 single protein format
CHEMBL597018 OBDepict H N H F F F H HN O F CH 3 CH 3 N HO H 3 C CH 3 IC50 = 0.2 nM 505.56 CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(C(C)(C)O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL1070042 single protein format
CHEMBL245580 OBDepict N NH O F F S N CH 3 S CH 3 IC50 = 0.2 nM 421.54 CSc1ccc(-c2nc(C)sc2C2CCC(F)(F)CC2C(=O)NCC#N)cc1 Homo sapiens CHEMBL886076 single protein format
CHEMBL204792 OBDepict H HN F F F H NH O CH 3 CH 3 N IC50 = 0.2 nM 403.45 CC(C)C[C@H](N[C@@H](c1ccc(-c2ccccc2)cc1)C(F)(F)F)C(=O)NCC#N Homo sapiens CHEMBL864424 single protein format
CHEMBL597426 OBDepict H N H F F F H HN O F CH 3 CH 3 N H 3 C H O H 2 N IC50 = 0.2 nM 518.56 C[C@H](C(N)=O)c1ccc(-c2ccc([C@H](N[C@@H](CC(C)(C)F)C(=O)NC3(C#N)CC3)C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL1070042 single protein format
CHEMBL605122 OBDepict H N H F F F H HN O F CH 3 CH 3 N OH IC50 = 0.2 nM 503.54 CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(C3(O)CC3)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL1070042 single protein format
CHEMBL598502 OBDepict N HN O N H H H F CH 3 H 3 C F F F O H 2 N IC50 = 0.2 nM 530.57 CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL1070042 single protein format
CHEMBL250501 OBDepict CH 3 S HN H N O N H H H H 3 C CH 3 F F F S O O CH 3 IC50 = 0.2 nM 555.69 CSCC[C@@H](C#N)NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F Homo sapiens CHEMBL888347 single protein format
CHEMBL182956 OBDepict N N H O HN H CH 3 H 3 C S N HN IC50 = 0.2 nM 411.58 CC(C)C[C@H](Nc1cscc1-c1ccc(N2CCNCC2)cc1)C(=O)NCC#N Homo sapiens CHEMBL827905 single protein format
CHEMBL381621 OBDepict N HN O HN H H H 3 C CH 3 F F F S IC50 = 0.2 nM 409.48 CC(C)C[C@H](N[C@@H](c1ccc(-c2ccsc2)cc1)C(F)(F)F)C(=O)NCC#N Homo sapiens CHEMBL864424 single protein format
CHEMBL481611 OBDepict H HN F F F H N H O F CH 3 CH 3 N S O O CH 3 IC50 = 0.2 nM 525.57 CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL945079 single protein format
CHEMBL377285 OBDepict N N H O NH H H H 3 C CH 3 F F F N IC50 < 0.2 nM 480.53 CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(-c3ccncc3)cc2)cc1)C(F)(F)F)C(=O)NCC#N Homo sapiens CHEMBL864424 single protein format
CHEMBL1215628 OBDepict H 3 C CH 3 N HN N Br O N N N N H 3 C IC50 = 0.2 nM 486.42 CC(C)CN(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(C#N)ncc1Br Homo sapiens CHEMBL4223222 single protein format
CHEMBL154579 OBDepict CH 3 N H H O HN O O O N H 3 C H 3 C H 3 C CH 3 H N IC50 = 0.21 nM 442.56 CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1-c1ccccc1 Homo sapiens CHEMBL656670 single protein format
CHEMBL157072 OBDepict H 3 C HN H O N H O O O N H 3 C CH 3 CH 3 H 3 C Br H N IC50 = 0.24 nM 445.36 CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1Br Homo sapiens CHEMBL656670 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 < 0.25 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 CHEMBL949945 single protein format
CHEMBL2316303 OBDepict CH 3 N H O O NH O O H 3 C CH 3 Br IC50 = 0.25 nM 441.37 CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)OCc1ccc(Br)cc1 Homo sapiens CHEMBL2319560 single protein format
CHEMBL345569 OBDepict CH 3 N H H O NH O O O N CH 3 H 3 C H 3 C CH 3 H N F IC50 = 0.26 nM 434.51 CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]nc2cccc(F)c12 Homo sapiens CHEMBL656670 single protein format
CHEMBL201782 OBDepict N N H O H H F F S CH 3 IC50 = 0.28 nM 400.49 CSc1ccc(-c2ccccc2[C@@H]2CCC(F)(F)C[C@H]2C(=O)NCC#N)cc1 Homo sapiens CHEMBL864074 single protein format
CHEMBL381758 OBDepict N HN O HN H H H 3 C CH 3 F F F N S IC50 = 0.3 nM 410.47 CC(C)C[C@H](N[C@@H](c1ccc(-c2nccs2)cc1)C(F)(F)F)C(=O)NCC#N Homo sapiens CHEMBL864424 single protein format
CHEMBL1669438 OBDepict H N H F F H N H O CH 3 H 3 C N S O O CH 3 IC50 = 0.3 nM 463.55 CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)F)C(=O)NCC#N Homo sapiens CHEMBL1671568 single protein format
CHEMBL1669441 OBDepict N HN O HN H H F CH 3 H 3 C F F F O H 2 N IC50 = 0.3 nM 530.57 CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2F)cc1)C(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL1671568 single protein format
CHEMBL374695 OBDepict N N N N H HN O CH 3 H 3 C CH 3 N IC50 = 0.3 nM 406.53 CC(C)(C)CNc1nc(C#N)ncc1C(=O)NCCc1ccc(N2CCCC2)cc1 Homo sapiens CHEMBL911395 single protein format
CHEMBL252383 OBDepict H HN F F F H NH O CH 3 CH 3 N S O O CH 3 IC50 = 0.3 nM 561.67 CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC(C#N)(C1CC1)C1CC1 Homo sapiens CHEMBL945079 single protein format
CHEMBL1669442 OBDepict N HN O N H H H F CH 3 H 3 C F F F F O H 2 N IC50 = 0.3 nM 548.56 CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2F)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL1671568 single protein format
CHEMBL249495 OBDepict H HN F F F H N H O CH 3 CH 3 N S O O CH 3 IC50 = 0.3 nM 507.58 CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL923076 single protein format
CHEMBL206912 OBDepict N N H O NH H H H 3 C CH 3 F F F S O O H 3 C IC50 = 0.3 nM 481.54 CC(C)C[C@H](N[C@@H](c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1)C(F)(F)F)C(=O)NCC#N Homo sapiens CHEMBL864424 single protein format
CHEMBL208278 OBDepict H N H F F F H NH O CH 3 H 3 C N H 3 C IC50 = 0.3 nM 417.48 Cc1ccc(-c2ccc([C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL864424 single protein format
CHEMBL206024 OBDepict H HN F F F H NH O CH 3 CH 3 N N IC50 = 0.3 nM 404.44 CC(C)C[C@H](N[C@@H](c1ccc(-c2ccncc2)cc1)C(F)(F)F)C(=O)NCC#N Homo sapiens CHEMBL864424 single protein format
CHEMBL597627 OBDepict N HN O N H H H F CH 3 H 3 C F F F N OH IC50 = 0.3 nM 504.53 CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(C3(O)CC3)cn2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL1070042 single protein format
CHEMBL598298 OBDepict H N H F F F H N H O F H 3 C H 3 C S N N CH 3 IC50 = 0.3 nM 468.52 Cc1csc(-c2ccc([C@H](N[C@@H](CC(C)(C)F)C(=O)NC3(C#N)CC3)C(F)(F)F)cc2)n1 Homo sapiens CHEMBL1070042 single protein format
CHEMBL203663 OBDepict H 3 C N H H N O O NH H N O CH 3 CH 3 O IC50 = 0.33 nM 432.57 CCCC[C@@H](/C=N/NC(=O)N1CCOCC1)NC(=O)O[C@H](Cc1ccccc1)C(C)C Homo sapiens CHEMBL868299 single protein format
CHEMBL3640077 OBDepict H 3 C N N NH O H N O H H H 3 C O H O Ki = 0.35 nM 468.6 C[C@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C2CCCC2)[C@@H]2C(=O)CO[C@H]12 Homo sapiens CHEMBL3705300 single protein format
CHEMBL117658 OBDepict H 3 C NH H O O O IC50 = 0.35 nM 317.43 CCCC[C@@H](C=O)NC(=O)OC1(Cc2ccccc2)CCCC1 Homo sapiens CHEMBL656686 single protein format
CHEMBL3640090 OBDepict H 3 C H N H O H O O HN H O N N H 3 C Ki = 0.4 nM 482.63 CC[C@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C2CCCC2)[C@@H]2C(=O)CO[C@H]12 Homo sapiens CHEMBL3705300 single protein format
CHEMBL603899 OBDepict H N H F F F H HN O F CH 3 CH 3 N OH H F F IC50 = 0.4 nM 527.51 CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc([C@@H](O)C(F)F)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL1070042 single protein format
CHEMBL371133 OBDepict N NH O N H O N HN IC50 = 0.4 nM 445.57 N#CCNC(=O)C1(NC(=O)c2ccc(-c3ccc(N4CCNCC4)cc3)cc2)CCCCC1 Homo sapiens CHEMBL881506 single protein format
CHEMBL395698 OBDepict N NH O F F N N CH 3 S CH 3 IC50 = 0.4 nM 404.49 CSc1ccc(-c2cn(C)nc2C2CCC(F)(F)CC2C(=O)NCC#N)cc1 Homo sapiens CHEMBL886076 single protein format
CHEMBL599272 OBDepict H N H F F F H HN O F CH 3 CH 3 N OH H F F IC50 = 0.4 nM 527.51 CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc([C@H](O)C(F)F)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL1070042 single protein format
CHEMBL605341 OBDepict N N H O N H H H F H 3 C H 3 C F F F N IC50 = 0.4 nM 498.52 CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc3ncccc3c2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL1070042 single protein format
CHEMBL207891 OBDepict N HN O N H H H H 3 C CH 3 F F F N H IC50 = 0.4 nM 442.49 CC(C)C[C@H](N[C@@H](c1ccc(-c2cccc3[nH]ccc23)cc1)C(F)(F)F)C(=O)NCC#N Homo sapiens CHEMBL864424 single protein format
CHEMBL156764 OBDepict H 3 C HN H O N H O O O N H 3 C CH 3 CH 3 CH 3 N CH 3 IC50 = 0.41 nM 380.49 CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccn(C)n1 Homo sapiens CHEMBL656670 single protein format
CHEMBL205659 OBDepict CH 3 N H H O NH O O O N H N O N CH 3 CH 3 H N H O F F F IC50 = 0.42 nM 566.54 CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1(C)C)C(=O)C(=O)Nc1cc[nH]n1 Homo sapiens CHEMBL866588 single protein format
CHEMBL3640082 OBDepict H 3 C CH 3 N H H N O O H H O H O F F N S N N CH 3 Ki = 0.45 nM 575.68 CC(C)C[C@H](NC(=O)c1ccc(-c2csc(N3CCN(C)CC3)n2)cc1)C(=O)N1C[C@@H](C(F)F)[C@H]2OCC(=O)[C@H]21 Homo sapiens CHEMBL3705300 single protein format
CHEMBL3640091 OBDepict CH 3 N N HN O H N O H H O H O H 3 C CH 3 Ki = 0.45 nM 496.65 CC(C)[C@H]1CN(C(=O)[C@@H](NC(=O)c2ccc(N3CCN(C)CC3)cc2)C2CCCC2)[C@@H]2C(=O)CO[C@H]12 Homo sapiens CHEMBL3705300 single protein format
CHEMBL1651351 OBDepict H 3 C CH 3 H N H H N O N CH 3 O O CH 3 N Ki = 0.46 nM 332.4 CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N Homo sapiens CHEMBL1655227 single protein format
CHEMBL201914 OBDepict N N H O F F S CH 3 IC50 = 0.46 nM 400.49 CSc1ccc(-c2ccccc2C2CCC(F)(F)CC2C(=O)NCC#N)cc1 Homo sapiens CHEMBL864074 single protein format
CHEMBL154959 OBDepict H 3 C HN H O N H O O O N H 3 C CH 3 CH 3 H 3 C CH 3 H N IC50 = 0.47 nM 380.49 CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1C Homo sapiens CHEMBL656670 single protein format
CHEMBL113724 OBDepict CH 3 H 3 C N H H HN O O O O N S O O O Ki = 0.5 nM 593.7 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1=O Homo sapiens CHEMBL663316 single protein format
CHEMBL326093 OBDepict O NH O H N H O H O N H S O O IC50 = 0.5 nM 457.51 O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N2CCS(=O)(=O)[C@@H]12)OCc1ccccc1 Homo sapiens CHEMBL875703 single protein format
CHEMBL598299 OBDepict N HN O N H H H F CH 3 H 3 C F F F N O H 2 N IC50 = 0.5 nM 531.55 CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(C3(C(N)=O)CC3)cn2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1 Homo sapiens CHEMBL1070042 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 = 0.5 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 CHEMBL945079 single protein format
CHEMBL201479 OBDepict N HN O H H IC50 = 0.5 nM 268.36 N#CCNC(=O)[C@@H]1CCCC[C@H]1/C=Cc1ccccc1 Homo sapiens CHEMBL864074 single protein format
CHEMBL113948 OBDepict CH 3 HN H O O O H H 3 C H 3 C IC50 = 0.5 nM 305.42 CCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C Homo sapiens CHEMBL656686 single protein format