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Q05655 | KPCD_HUMAN | Protein kinase C delta type (PRKCD)

3D structures mapped by conservation among orthologs

[ Domain: "C2 domain" // KOG0694 ]

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[ Domain: "Cysteine-rich domain" // C1_1 ]

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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
CHEMBL2151411 OBDepict CH 3 N N N N O N H O N H H 3 C IC50 = 0.1 nM 452.52 Cc1cccc2c(C3=C(c4nc(N5CCN(C)CC5)nc5ccccc45)C(=O)NC3=O)c[nH]c12 Homo sapiens CHEMBL2156013 single protein format
CHEMBL2148106 OBDepict H 3 C O H OH H 3 C H H O H CH 3 O H O CH 3 H 3 C HO O H H 3 C O O H OH H 3 C H Ki = 0.2 nM 592.73 CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1 Homo sapiens CHEMBL2148240 single protein format
CHEMBL417692 OBDepict HO H HN O H N N CH 3 H 3 C CH 3 H H 3 C CH 3 H 2 C CH 3 H 3 C Ki = 0.32 nM 451.66 C=C[C@@]1(C)CC[C@](C)(C(C)C)c2cc3c4c(c[nH]c4c21)C[C@@H](CO)NC(=O)[C@H](C(C)C)N3C Homo sapiens CHEMBL766602 single protein format
CHEMBL2418196 OBDepict O O H O H OH H 3 C H H CH 3 O O O H CH 3 H 3 C CH 3 H HO H H 3 C OH Ki = 0.32 nM 562.7 C[C@@H](CCCc1cccc(O)c1)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C Homo sapiens CHEMBL2421506 single protein format
CHEMBL1996510 OBDepict O N H O N N N N H N H IC50 = 0.4 nM 424.46 O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12 Homo sapiens CHEMBL2156013 single protein format
CHEMBL2148108 OBDepict OH H O O O O H H O H H 3 C O H H 3 C CH 3 HO Ki = 0.46 nM 504.62 C[C@H]1[C@@H]2C[C@@]3(O[C@H](CCC3(C)C)CC(=O)O[C@@H](CO)CC(=O)O2)O[C@@H]1CCCCc1cccc(O)c1 Homo sapiens CHEMBL2148240 single protein format
CHEMBL399981 OBDepict CH 3 N N H N H H 3 C HO H O H 3 C H 3 C Ki = 0.46 nM 385.55 CCCCCCn1cc2c3c(cccc31)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C2 Homo sapiens CHEMBL927263 single protein format
CHEMBL2153750 OBDepict CH 3 N N N N O N H F O N H IC50 = 0.6 nM 456.48 CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cc(F)ccc3n2)CC1 Homo sapiens CHEMBL2156013 single protein format
CHEMBL27768 OBDepict CH 3 O O H H H 3 C O OH CH 3 CH 3 H H H O OH H 3 C O CH 3 HO Ki = 0.8 nM 504.62 CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(=O)CCC Homo sapiens CHEMBL767782 single protein format
CHEMBL351103 OBDepict CH 3 H N O NH H 3 C H HO Ki = 0.8 nM 416.65 CCCCCCCCCCCCCC[C@H]1C(=O)N[C@H](CO)Cc2ccccc2N1C Homo sapiens CHEMBL759480 single protein format
CHEMBL285801 OBDepict CH 3 N H N H 3 C H H N H H 3 C CH 3 O OH Ki = 0.8 nM 413.61 CCCCCCCCc1ccc2c3c(c[nH]c13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C Homo sapiens CHEMBL766600 assay format
CHEMBL160375 OBDepict CH 3 H N O NH H 3 C H HO Ki = 0.8 nM 388.6 CCCCCCCCCCCC[C@H]1C(=O)N[C@H](CO)Cc2ccccc2N1C Homo sapiens CHEMBL759480 single protein format
CHEMBL159233 OBDepict CH 3 H N O NH H 3 C H HO Ki = 0.8 nM 360.54 CCCCCCCCCC[C@H]1C(=O)N[C@H](CO)Cc2ccccc2N1C Homo sapiens CHEMBL759480 single protein format
CHEMBL137386 OBDepict OH O O O O CH 3 CH 3 CH 3 H 3 C H 3 C H 3 C CH 3 Ki = 0.9 nM 382.54 CC(C)CC(C/C=C1CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Homo sapiens CHEMBL876368 single protein format
CHEMBL427118 OBDepict HO N H O H O O OH HO O OH O HO IC50 = 0.9 nM 521.48 O=C(N[C@@H]1CCCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL759477 single protein format
CHEMBL52529 OBDepict HO HN O H H O O OH HO O OH O HO IC50 = 0.9 nM 521.48 O=C(N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL856212 single protein format
CHEMBL48636 OBDepict HO N H O O O OH HO O OH O HO IC50 = 0.9 nM 521.48 O=C(NC1CCCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL768251 single protein format
CHEMBL2151415 OBDepict O N H O N N N N H 3 C N H IC50 = 1.0 nM 438.49 Cn1cc(C2=C(c3nc(N4CCNCC4)nc4ccccc34)C(=O)NC2=O)c2ccccc21 Homo sapiens CHEMBL2156013 single protein format
CHEMBL71331 OBDepict HO HN O H O O OH OH O HO O OH IC50 = 1.0 nM 521.48 O=C(NC1CCC[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL766310 single protein format
CHEMBL96766 OBDepict OH O O O O CH 3 CH 3 CH 3 H 3 C H 3 C H 3 C CH 3 Ki = 1.16 nM 382.54 CC(C)CC(C/C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Homo sapiens CHEMBL876368 single protein format
CHEMBL2153751 OBDepict CH 3 N N N N O N H Cl O N H IC50 = 1.2 nM 472.94 CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cc(Cl)ccc3n2)CC1 Homo sapiens CHEMBL2156013 single protein format
CHEMBL565612 OBDepict CH 3 N N N N O N H O N H IC50 = 1.3 nM 438.49 CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1 Homo sapiens CHEMBL1040088 single protein format
CHEMBL380645 OBDepict OH O O O O H 3 C H 3 C H 3 C CH 3 HO Ki = 1.4 nM 390.48 CC(C)C(CC(=O)OCC1(CO)C/C(=Cc2ccc(O)cc2)C(=O)O1)C(C)C Homo sapiens CHEMBL871203 single protein format
CHEMBL2153748 OBDepict CH 3 N N N O N H O N H IC50 = 1.8 nM 437.5 CN1CCN(c2cc3ccccc3c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)n2)CC1 Homo sapiens CHEMBL2156013 single protein format
CHEMBL2151408 OBDepict CH 3 N N N N O N H O N H Cl IC50 = 2.5 nM 472.94 CN1CCN(c2nc(C3=C(c4c[nH]c5ccc(Cl)cc45)C(=O)NC3=O)c3ccccc3n2)CC1 Homo sapiens CHEMBL2156013 single protein format
CHEMBL595521 OBDepict H 3 C N N N NH N CH 3 N H IC50 = 2.5 nM 400.53 Cc1c(Nc2c(C#N)cncc2/C=C/CCN2CCN(C)CC2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070541 single protein format
CHEMBL2151413 OBDepict CH 3 N N N N O N H O N CH 3 H 3 C IC50 = 2.7 nM 480.57 CC(C)n1cc(C2=C(c3nc(N4CCN(C)CC4)nc4ccccc34)C(=O)NC2=O)c2ccccc21 Homo sapiens CHEMBL2156013 single protein format
CHEMBL37271 OBDepict CH 3 N O NH H 3 C H HO Ki = 3.0 nM 360.54 CCCCCCCCCCC1C(=O)N[C@H](CO)Cc2ccccc2N1C Homo sapiens CHEMBL766602 single protein format
CHEMBL370130 OBDepict OH O O S O CH 3 CH 3 CH 3 H 3 C H 3 C H 3 C CH 3 Ki = 3.13 nM 398.61 CC(C)CC(C/C=C1CC(CO)(COC(=O)C(C)(C)C)OC1=S)CC(C)C Homo sapiens CHEMBL871845 single protein format
CHEMBL2153749 OBDepict CH 3 N N N N CH 3 O N H O N H IC50 = 3.2 nM 452.52 Cc1cccc2nc(N3CCN(C)CC3)nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c12 Homo sapiens CHEMBL2156013 single protein format
CHEMBL2148107 OBDepict OH H O O O O H H O H CH 3 H O H 3 C H 3 C HO Ki = 3.3 nM 504.62 C[C@@H]1CC(C)(C)[C@@]23C[C@@H](C[C@@H](CCCCc4cccc(O)c4)O2)OC(=O)C[C@H](CO)OC(=O)C[C@@H]1O3 Homo sapiens CHEMBL2148240 single protein format
CHEMBL605112 OBDepict N N N H CH 3 N N H N IC50 = 3.4 nM 462.6 Cc1c(Nc2c(C#N)cncc2/C=C/CCN2CCN(c3ccccc3)CC2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070541 single protein format
CHEMBL75661 OBDepict OH H H O H HN O O OH HO OH O OH O HO IC50 = 4.0 nM 551.5 O=C(N[C@@H]1C[C@H](CO)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL766309 single protein format
CHEMBL306427 OBDepict OH H H O H HN O O OH HO OH O OH O HO IC50 = 4.0 nM 551.5 O=C(N[C@H]1C[C@H](CO)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL766312 single protein format
CHEMBL2153752 OBDepict CH 3 N N N N O N H CH 3 O N H IC50 = 4.1 nM 452.52 Cc1ccc2nc(N3CCN(C)CC3)nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2c1 Homo sapiens CHEMBL2156013 single protein format
CHEMBL583906 OBDepict N N HN O H 3 C N H N HN IC50 = 4.3 nM 462.56 Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CN4CCNCC4)ccc3o2)ccc2[nH]ccc12 Homo sapiens CHEMBL1047184 single protein format
CHEMBL565632 OBDepict H 3 C N CH 3 O O N H O N H IC50 = 4.4 nM 425.49 CN(C)CCOc1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc2c1 Homo sapiens CHEMBL1040088 single protein format
CHEMBL417051 OBDepict OH HN O H H O H NH 2 O HO OH O OH O HO IC50 = 5.0 nM 536.49 N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 Homo sapiens CHEMBL766312 single protein format
CHEMBL306580 OBDepict OH H O H HN O O OH HO OH O OH O HO IC50 = 5.0 nM 537.48 O=C(N[C@@H]1CC(O)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL766309 single protein format
CHEMBL422056 OBDepict HO HN O N H H O O OH OH O HO O OH IC50 = 5.0 nM 522.47 O=C(NC1CNC[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL766310 single protein format
CHEMBL432168 OBDepict OH HN O H H O H NH 2 O HO OH O OH O HO IC50 = 5.0 nM 536.49 N[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 Homo sapiens CHEMBL766309 single protein format
CHEMBL295806 OBDepict OH O O OH HO O OH O HO IC50 = 5.0 nM 492.48 O=C(OC1CCCC1Cc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 Homo sapiens CHEMBL768251 single protein format
CHEMBL177635 OBDepict HO N H O H NH O O OH HO O OH O HO IC50 = 5.0 nM 522.47 O=C(N[C@@H]1CNCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL759477 single protein format
CHEMBL300422 OBDepict OH HN O O OH HO O OH O HO IC50 = 5.0 nM 493.47 O=C(OC1CNCC1Cc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 Homo sapiens CHEMBL759073 single protein format
CHEMBL265559 OBDepict HO N H O NH O O OH HO O OH O HO IC50 = 5.0 nM 522.47 O=C(NC1CNCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL759073 single protein format
CHEMBL59828 OBDepict HO HN O H NH H O O OH HO O OH O HO IC50 = 5.0 nM 522.47 O=C(N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL856212 single protein format
CHEMBL66923 OBDepict CH 3 O O HO O OH OH O O H H HN O OH IC50 = 5.0 nM 535.51 COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O Homo sapiens CHEMBL768253 cell-based format
CHEMBL570047 OBDepict N N HN S H 3 C N H N IC50 = 5.2 nM 477.64 Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CN4CCCCC4)ccc3s2)ccc2[nH]ccc12 Homo sapiens CHEMBL1047184 single protein format
CHEMBL522428 OBDepict HO O O O O CH 3 H 3 C H 3 C Ki = 5.4 nM 404.46 CC(C)=C1CC(CO)(COC(=O)c2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O Homo sapiens CHEMBL1000239 single protein format
CHEMBL2151412 OBDepict CH 3 N N N N O N H O N CH 3 IC50 = 5.7 nM 452.52 CN1CCN(c2nc(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1 Homo sapiens CHEMBL2156013 single protein format
CHEMBL593883 OBDepict H 2 N N N NH N CH 3 N H IC50 = 5.8 nM 400.53 Cc1c(Nc2c(C#N)cncc2/C=C/CCN2CCC(N)CC2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070541 single protein format
CHEMBL34971 OBDepict H 3 C N H 3 C H H NH H 3 C CH 3 O OH Ki = 5.9 nM 402.62 CCCCCCCCCCc1ccc2c(c1)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C2 Homo sapiens CHEMBL766602 single protein format
CHEMBL309034 OBDepict HO HN O H H O H OH O OH HO O OH O HO IC50 = 6.0 nM 537.48 O=C(N[C@@H]1C[C@@H](O)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL766309 single protein format
CHEMBL421866 OBDepict H 2 N H H O H NH O O OH OH HO O HO O OH IC50 = 6.0 nM 550.52 NC[C@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 Homo sapiens CHEMBL766312 single protein format
CHEMBL307708 OBDepict H 2 N H H O H NH O O OH OH HO O HO O OH IC50 = 6.0 nM 550.52 NC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 Homo sapiens CHEMBL766309 single protein format
CHEMBL67716 OBDepict HO HN O H H O H OH O OH HO O OH O HO IC50 = 6.0 nM 537.48 O=C(N[C@H]1C[C@H](O)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL766312 single protein format
CHEMBL2151410 OBDepict CH 3 N N N N O N H O N H Cl IC50 = 6.2 nM 472.94 CN1CCN(c2nc(C3=C(c4c[nH]c5c(Cl)cccc45)C(=O)NC3=O)c3ccccc3n2)CC1 Homo sapiens CHEMBL2156013 single protein format
CHEMBL2153755 OBDepict CH 3 N N N N F O N H O N H IC50 = 6.3 nM 456.48 CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccc(F)cc3n2)CC1 Homo sapiens CHEMBL2156013 single protein format
CHEMBL568580 OBDepict CH 3 N N O N H O N H IC50 = 7.3 nM 436.52 CN1CCN(c2cc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3c2)CC1 Homo sapiens CHEMBL1040088 single protein format
CHEMBL2205426 OBDepict O O N H N H CH 3 H 3 C CH 3 N N N H N Ki = 7.9 nM 414.47 CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O Homo sapiens CHEMBL2209634 single protein format
CHEMBL593163 OBDepict H 2 N N N NH N CH 3 N H IC50 = 8.0 nM 386.5 Cc1c(Nc2c(C#N)cncc2/C=C/CN2CCC(N)CC2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070541 single protein format
CHEMBL2147537 OBDepict H H 2 N CH 3 NH N N N IC50 = 8.0 nM 279.35 C[C@H](N)CNc1nc(-c2ccncc2)cc2cnccc12 Homo sapiens CHEMBL2150522 single protein format
CHEMBL2151409 OBDepict CH 3 N N N N O N H O N H Cl IC50 = 8.2 nM 472.94 CN1CCN(c2nc(C3=C(c4c[nH]c5cc(Cl)ccc45)C(=O)NC3=O)c3ccccc3n2)CC1 Homo sapiens CHEMBL2156013 single protein format
CHEMBL567103 OBDepict N N HN H 3 C O N N H N H 3 C CH 3 IC50 = 8.2 nM 454.58 Cc1c(Nc2c(C#N)cncc2-c2coc(CN3CCC(N(C)C)CC3)c2)ccc2[nH]ccc12 Homo sapiens CHEMBL1037487 single protein format
CHEMBL4085837 OBDepict CH 3 N CH 3 Cl O N H O N H IC50 = 9.4 nM 429.91 CN(C)Cc1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c(Cl)ccc2c1 Homo sapiens CHEMBL4004542 single protein format
CHEMBL567082 OBDepict CH H 3 C S N N H 3 C IC50 = 9.7 nM 438.64 C#Cc1cccc(-c2csc(CN3CCN(C)CC3)c2)c1Cc1ccc2c(c1C)C=CC2 Homo sapiens CHEMBL1037487 single protein format
CHEMBL1258117 OBDepict HO H O O O O H H O H O H 3 C H 3 C Ki = 9.8 nM 474.59 CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 Homo sapiens CHEMBL1260397 single protein format
CHEMBL570277 OBDepict N N HN S H 3 C N H N N H 3 C IC50 = 9.9 nM 492.65 Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CN4CCN(C)CC4)ccc3s2)ccc2[nH]ccc12 Homo sapiens CHEMBL1047184 single protein format
CHEMBL2326000 OBDepict OH N N F N HN H N OH CH 3 H N H 3 C H 3 C Ki < 10.0 nM 414.49 CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc34)c(F)cc2CO)CCN1 Homo sapiens CHEMBL2330915 single protein format
CHEMBL2325998 OBDepict CH 3 CH 3 HO CH 3 H HN N N HO F N N H N Ki < 10.0 nM 400.46 CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc34)c(F)cc2O)CCN1 Homo sapiens CHEMBL2330915 single protein format
CHEMBL2046649 OBDepict CH 3 H 3 C H NH N N O NH 2 N Ki < 10.0 nM 415.54 CC(C)C[C@H]1CN(c2ccc(-c3ccccc3)c(C(=O)c3cccnc3N)n2)CCN1 Homo sapiens CHEMBL2049838 single protein format
CHEMBL569590 OBDepict N N NH O CH 3 N H N H IC50 = 10.0 nM 475.6 Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CNC4CCCCC4)ccc3o2)ccc2[nH]ccc12 Homo sapiens CHEMBL1047184 single protein format
CHEMBL1091481 OBDepict HO N N N N HN N H 3 C N H IC50 = 11.0 nM 493.62 Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(CN3CCN(CCO)CC3)n2)ccc2[nH]ccc12 Homo sapiens CHEMBL1105143 single protein format
CHEMBL489520 OBDepict OH O O O O H 3 C CH 3 O CH 3 Ki = 11.9 nM 462.54 CC(C)=C1CC(CO)(COC(=O)CCCOc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O Homo sapiens CHEMBL1000239 single protein format
CHEMBL4453941 OBDepict N H 3 C H 3 C N N N H Ki = 12.0 nM 262.32 CC(C)(C#N)c1cccc(-c2ccnc3[nH]ccc23)n1 Homo sapiens CHEMBL4399586 single protein format
CHEMBL2153753 OBDepict CH 3 N N N N O N H O H 3 C CH 3 N H IC50 = 12.0 nM 480.57 CC(C)c1ccc2nc(N3CCN(C)CC3)nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2c1 Homo sapiens CHEMBL2156013 single protein format
CHEMBL59677 OBDepict HO HN O H NH H HN O OH HO O OH O HO IC50 = 12.0 nM 521.48 O=C(N[C@@H]1CNC[C@H]1NC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL766471 single protein format
CHEMBL571785 OBDepict OH HN O N NH N CH 3 N H IC50 = 13.0 nM 437.5 Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CNCCO)ccc3o2)ccc2[nH]ccc12 Homo sapiens CHEMBL1047184 single protein format
CHEMBL289892 OBDepict OH H HN O H N H 3 C CH 3 CH 3 H 3 C CH 3 Ki = 14.0 nM 412.62 CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc3c(cc2N1C)C1(CCC3)CCC(C)(C)CC1 Homo sapiens CHEMBL766602 single protein format
CHEMBL568371 OBDepict N N HN H 3 C O N N H N H 3 C CH 3 IC50 = 14.0 nM 454.58 Cc1c(Nc2c(C#N)cncc2-c2coc(CN3CCN(C(C)C)CC3)c2)ccc2[nH]ccc12 Homo sapiens CHEMBL1037487 single protein format
CHEMBL494089 OBDepict CH 3 N N N O O H 2 N N N H HN OH H 3 C H 3 C IC50 = 14.0 nM 425.49 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21 Homo sapiens CHEMBL1028108 single protein format
CHEMBL401369 OBDepict CH 3 N N CH 3 H HN H HO CH 3 H 3 C O Ki = 15.0 nM 399.58 CCCCCCn1cc2c3c(cccc31)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CC2 Homo sapiens CHEMBL927263 single protein format
CHEMBL4072879 OBDepict CH 3 HN Cl O N H O N H 3 C IC50 = 15.0 nM 429.91 CNCc1ccc2ccc(Cl)c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c2c1 Homo sapiens CHEMBL4004542 single protein format
CHEMBL595733 OBDepict N N N H CH 3 N N H H NH 2 IC50 = 15.0 nM 386.5 Cc1c(Nc2c(C#N)cncc2/C=C/CCN2CC[C@@H](N)C2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070541 single protein format
CHEMBL2326002 OBDepict CH 3 CH 3 HO CH 3 H HN N N Cl F N N H N Ki = 16.0 nM 418.9 CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc34)c(F)cc2Cl)CCN1 Homo sapiens CHEMBL2330915 single protein format
CHEMBL570713 OBDepict H 3 C N N O N HN N H 3 C N H IC50 = 16.0 nM 490.61 CCN1CCN(Cc2ccc3oc(-c4cncc(C#N)c4Nc4ccc5[nH]ccc5c4C)cc3c2)CC1 Homo sapiens CHEMBL1047184 single protein format
CHEMBL585753 OBDepict OH HO NH O N HN N H 3 C N H IC50 = 16.0 nM 467.53 Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CNCC(O)CO)ccc3o2)ccc2[nH]ccc12 Homo sapiens CHEMBL1047184 single protein format
CHEMBL603418 OBDepict N N NH CH 3 N N H NH IC50 = 16.0 nM 386.5 Cc1c(Nc2c(C#N)cncc2/C=C/CCN2CCNCC2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070541 single protein format
CHEMBL1088056 OBDepict N N N H CH 3 N H N N H 3 C CH 3 IC50 = 16.0 nM 490.66 Cc1c(Nc2c(C#N)cncc2/C=C/c2ccc(CN3CCC(N(C)C)CC3)cc2)ccc2[nH]ccc12 Homo sapiens CHEMBL1105143 single protein format
CHEMBL4064291 OBDepict CH 3 N CH 3 Cl O N H O N H 3 C IC50 = 17.0 nM 443.93 CN(C)Cc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c(Cl)ccc2c1 Homo sapiens CHEMBL4004542 single protein format
CHEMBL571581 OBDepict N N HN O H 3 C N H N N H 3 C IC50 = 17.0 nM 476.58 Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CN4CCN(C)CC4)ccc3o2)ccc2[nH]ccc12 Homo sapiens CHEMBL1047184 single protein format
CHEMBL271403 OBDepict OH H N H O N H N N CH 3 H 3 C CH 3 Ki = 17.7 nM 326.4 CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cn3ncc4ccc(c2c43)N1C Homo sapiens CHEMBL929992 single protein format
CHEMBL2326001 OBDepict CH 3 CH 3 HO CH 3 H HN N N F F N N H N Ki = 18.0 nM 402.45 CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc34)c(F)cc2F)CCN1 Homo sapiens CHEMBL2330915 single protein format
CHEMBL1088737 OBDepict N N N H CH 3 N N H N N H 3 C CH 3 IC50 = 18.0 nM 491.64 Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(CN3CCC(N(C)C)CC3)n2)ccc2[nH]ccc12 Homo sapiens CHEMBL1105143 single protein format
CHEMBL304626 OBDepict CH 3 O O HO O OH OH O O H HN H HN O OH IC50 = 18.0 nM 536.49 COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CNC[C@H]2NC(=O)c2ccc(O)cc2)cc1O Homo sapiens CHEMBL768253 cell-based format
CHEMBL4289707 OBDepict HO HN H H H H N H N N N H N O F F F IC50 = 18.0 nM 516.57 N#Cc1cnc(NCc2ccccc2OC(F)(F)F)nc1NC[C@@]12C[C@H]3C[C@@H](C1)[C@H](NCCO)[C@H](C3)C2 Homo sapiens CHEMBL4276096 assay format
CHEMBL494166 OBDepict N N NH CH 3 N O H N H N CH 3 CH 3 IC50 = 18.0 nM 454.58 Cc1c(Nc2c(C#N)cncc2-c2ccc(OCCNCCN(C)C)cc2)ccc2[nH]ccc12 Homo sapiens CHEMBL1007476 single protein format
CHEMBL606148 OBDepict N N N H CH 3 N N H H NH 2 IC50 = 18.0 nM 386.5 Cc1c(Nc2c(C#N)cncc2/C=C/CCN2CC[C@H](N)C2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070541 single protein format
CHEMBL605318 OBDepict N N NH CH 3 N H N NH 2 IC50 = 18.0 nM 414.56 Cc1c(Nc2c(C#N)cncc2/C=C/CCCN2CCC(N)CC2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070541 single protein format
CHEMBL1080994 OBDepict N N N H H 3 C N H S N O O N CH 3 IC50 = 18.0 nM 512.64 Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)ccc2[nH]ccc12 Homo sapiens CHEMBL1114006 single protein format