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Q02156 | KPCE_HUMAN | Protein kinase C epsilon type (PRKCE)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL399981 OBDepict CH 3 N N H N H H 3 C HO H O H 3 C H 3 C Ki = 0.47 nM 385.55 CCCCCCn1cc2c3c(cccc31)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C2 Homo sapiens CHEMBL927264 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 = 0.63 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 CHEMBL2148241 single protein format
CHEMBL2151411 OBDepict CH 3 N N N N O N H O N H H 3 C IC50 = 0.7 nM 452.52 Cc1cccc2c(C3=C(c4nc(N5CCN(C)CC5)nc5ccccc45)C(=O)NC3=O)c[nH]c12 Homo sapiens CHEMBL2156014 single protein format
CHEMBL1996510 OBDepict O N H O N N N N H N H IC50 = 0.9 nM 424.46 O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12 Homo sapiens CHEMBL2156014 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 = 1.0 nM 413.61 CCCCCCCCc1ccc2c3c(c[nH]c13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C Homo sapiens CHEMBL771562 assay format
CHEMBL2326002 OBDepict CH 3 CH 3 HO CH 3 H HN N N Cl F N N H N Ki = 1.0 nM 418.9 CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc34)c(F)cc2Cl)CCN1 Homo sapiens CHEMBL2330897 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 = 1.03 nM 382.54 CC(C)CC(C/C=C1CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Homo sapiens CHEMBL3396876 single protein format
CHEMBL3393748 OBDepict HO O O O O CH 3 CH 3 CH 3 H 3 C CH 3 H 3 C Ki = 1.21 nM 382.54 CC(C)C/C=C1CC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O Homo sapiens CHEMBL3396876 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 = 1.3 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 CHEMBL2421505 single protein format
CHEMBL1080994 OBDepict N N N H H 3 C N H S N O O N CH 3 IC50 = 1.6 nM 512.64 Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)ccc2[nH]ccc12 Homo sapiens CHEMBL1114004 single protein format
CHEMBL1084411 OBDepict N N N H CH 3 N N H N N CH 3 IC50 = 2.0 nM 463.59 Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(CN3CCN(C)CC3)n2)ccc2[nH]ccc12 Homo sapiens CHEMBL1105155 single protein format
CHEMBL2153750 OBDepict CH 3 N N N N O N H F O N H IC50 = 2.0 nM 456.48 CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cc(F)ccc3n2)CC1 Homo sapiens CHEMBL2156014 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 = 2.0 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 CHEMBL2148241 single protein format
CHEMBL3393741 OBDepict H 3 C O O O OH O CH 3 CH 3 Ki = 2.14 nM 476.7 CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC1(CO)C/C(=CCC(C)C)C(=O)O1 Homo sapiens CHEMBL3396876 single protein format
CHEMBL3289012 OBDepict CH 3 O O H 3 C O HO O N H 3 C Ki = 2.17 nM 413.51 CCCC(CCC)C(=O)OCC1(CO)C/C(=Cc2ccc3c(ccn3C)c2)C(=O)O1 Homo sapiens CHEMBL3294518 single protein format
CHEMBL230048 OBDepict HO O O O O CH 3 CH 3 CH 3 H 3 C CH 3 H 3 C Ki = 2.37 nM 382.54 CC(C)C/C=C1/CC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O Homo sapiens CHEMBL3396876 single protein format
CHEMBL571581 OBDepict N N HN O H 3 C N H N N H 3 C IC50 = 2.5 nM 476.58 Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CN4CCN(C)CC4)ccc3o2)ccc2[nH]ccc12 Homo sapiens CHEMBL1047194 single protein format
CHEMBL603418 OBDepict N N NH CH 3 N N H NH IC50 = 2.5 nM 386.5 Cc1c(Nc2c(C#N)cncc2/C=C/CCN2CCNCC2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070548 single protein format
CHEMBL4160361 OBDepict OH O O O O H 3 C CH 3 H 3 C Cl Ki = 2.57 nM 352.81 CC(C)(C)C(=O)OCC1(CO)C/C(=Cc2ccc(Cl)cc2)C(=O)O1 Homo sapiens CHEMBL4137135 assay format
CHEMBL2151415 OBDepict O N H O N N N N H 3 C N H IC50 = 3.8 nM 438.49 Cn1cc(C2=C(c3nc(N4CCNCC4)nc4ccccc34)C(=O)NC2=O)c2ccccc21 Homo sapiens CHEMBL2156014 single protein format
CHEMBL2153751 OBDepict CH 3 N N N N O N H Cl O N H IC50 = 3.9 nM 472.94 CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3cc(Cl)ccc3n2)CC1 Homo sapiens CHEMBL2156014 single protein format
CHEMBL3393754 OBDepict H 3 C O O OH O O H 3 C H 3 C CH 3 Ki = 4.1 nM 476.7 CCCCC/C=CC/C=CCCCCCCC/C=C1CC(CO)(COC(=O)C(C)(C)C)OC1=O Homo sapiens CHEMBL3396876 single protein format
CHEMBL2153748 OBDepict CH 3 N N N O N H O N H IC50 = 4.3 nM 437.5 CN1CCN(c2cc3ccccc3c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)n2)CC1 Homo sapiens CHEMBL2156014 single protein format
CHEMBL4085837 OBDepict CH 3 N CH 3 Cl O N H O N H IC50 = 4.3 nM 429.91 CN(C)Cc1ccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c(Cl)ccc2c1 Homo sapiens CHEMBL4004543 single protein format
CHEMBL265998 OBDepict CH 3 O O H H H 3 C O OH CH 3 CH 3 H H H O H H 3 C O CH 3 HO Ki = 4.49 nM 488.62 CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@H]3C(=O)C(C)=C[C@H]32)[C@@H]2C(C)(C)[C@]12OC(=O)CCC Homo sapiens CHEMBL772738 single protein format
CHEMBL3393750 OBDepict CH 3 O O O HO O H 3 C CH 3 Ki = 4.79 nM 476.7 CCCCCCCCC#CCCCCCCCC(=O)OCC1(CO)C/C(=CCC(C)C)C(=O)O1 Homo sapiens CHEMBL3396876 single protein format
CHEMBL2147537 OBDepict H H 2 N CH 3 NH N N N IC50 = 5.0 nM 279.35 C[C@H](N)CNc1nc(-c2ccncc2)cc2cnccc12 Homo sapiens CHEMBL2150523 single protein format
CHEMBL1214929 OBDepict H 2 N HN N N N IC50 = 5.0 nM 265.32 NCCNc1nc(-c2ccncc2)cc2cnccc12 Homo sapiens CHEMBL2150523 single protein format
CHEMBL3393753 OBDepict H 3 C O O OH O O H 3 C H 3 C CH 3 Ki = 5.06 nM 476.7 CCCCC/C=CC/C=CCCCCCCC/C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O Homo sapiens CHEMBL3396876 single protein format
CHEMBL3393752 OBDepict H 3 C O O O OH O CH 3 CH 3 Ki = 5.24 nM 472.67 CCCCCCC#CC#CCCCCCCCC(=O)OCC1(CO)C/C(=CCC(C)C)C(=O)O1 Homo sapiens CHEMBL3396876 single protein format
CHEMBL565632 OBDepict H 3 C N CH 3 O O N H O N H IC50 = 5.5 nM 425.49 CN(C)CCOc1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc2c1 Homo sapiens CHEMBL1040089 single protein format
CHEMBL3393743 OBDepict CH 3 O O O HO O H 3 C H 3 C Ki = 5.5 nM 504.75 CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C/C(=CCC(C)C)C(=O)O1 Homo sapiens CHEMBL3396876 single protein format
CHEMBL3393758 OBDepict H 3 C O O OH O O H 3 C H 3 C CH 3 Ki = 5.9 nM 480.73 CCCCCCCCCCCCCCCCC/C=C1/CC(=O)OC1(CO)COC(=O)C(C)(C)C Homo sapiens CHEMBL3396876 single protein format
CHEMBL7463 OBDepict H 3 C N CH 3 N O N H O N H IC50 = 6.0 nM 412.49 CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21 Homo sapiens CHEMBL966809 single protein format
CHEMBL2153749 OBDepict CH 3 N N N N CH 3 O N H O N H IC50 = 6.2 nM 452.52 Cc1cccc2nc(N3CCN(C)CC3)nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c12 Homo sapiens CHEMBL2156014 single protein format
CHEMBL565612 OBDepict CH 3 N N N N O N H O N H IC50 = 6.2 nM 438.49 CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1 Homo sapiens CHEMBL1040089 single protein format
CHEMBL4167589 OBDepict OH O O O O Cl N CH 3 CH 3 Ki = 6.39 nM 415.87 CN(C)c1ccc(/C=C2CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1 Homo sapiens CHEMBL4137135 assay format
CHEMBL593883 OBDepict H 2 N N N NH N CH 3 N H IC50 = 6.5 nM 400.53 Cc1c(Nc2c(C#N)cncc2/C=C/CCN2CCC(N)CC2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070548 single protein format
CHEMBL4172461 OBDepict HO O O O O Cl Cl Ki = 6.51 nM 407.25 O=C1OC(CO)(COC(=O)c2ccc(Cl)cc2)C/C1=Cc1ccc(Cl)cc1 Homo sapiens CHEMBL4137135 assay format
CHEMBL4174397 OBDepict OH O O O O Cl O CH 3 Ki = 6.8 nM 402.83 COc1ccc(/C=C2CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1 Homo sapiens CHEMBL4137135 assay format
CHEMBL2147542 OBDepict HN N N N N IC50 = 7.0 nM 305.39 c1cc(-c2cc3cnccc3c(N3CCCNCC3)n2)ccn1 Homo sapiens CHEMBL2150523 single protein format
CHEMBL567124 OBDepict N N N H CH 3 N H O N N H 3 C IC50 = 7.0 nM 492.63 Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(OCCN3CCN(C)CC3)c2)ccc2[nH]ccc12 Homo sapiens CHEMBL1039938 single protein format
CHEMBL4175934 OBDepict HO O O O O O Cl H 3 C Ki = 7.1 nM 402.83 COc1ccc(C(=O)OCC2(CO)C/C(=Cc3ccc(Cl)cc3)C(=O)O2)cc1 Homo sapiens CHEMBL4137135 assay format
CHEMBL3393749 OBDepict CH 3 O O O HO O H 3 C CH 3 Ki = 7.12 nM 476.7 CCCCCCCCC#CCCCCCCCC(=O)OCC1(CO)C/C(=C/CC(C)C)C(=O)O1 Homo sapiens CHEMBL3396876 single protein format
CHEMBL3393745 OBDepict CH 3 O O O O O HO O H 3 C H 3 C Ki = 7.46 nM 508.7 CCCCCC1OC1CC1OC1CCCCCCCC(=O)OCC1(CO)C/C(=CCC(C)C)C(=O)O1 Homo sapiens CHEMBL3396876 single protein format
CHEMBL27266 OBDepict OH H N H O H N N H 3 C CH 3 H 3 C H Ki = 7.7 nM 301.39 CC(C)[C@H]1C(=O)N[C@H](CO)Cc2c[nH]c3cccc(c23)N1C Homo sapiens CHEMBL772744 single protein format
CHEMBL4162516 OBDepict HO O O O O CH 3 CH 3 H 3 C N CH 3 H 3 C Ki = 7.87 nM 361.44 CN(C)c1ccc(/C=C2CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1 Homo sapiens CHEMBL4137135 assay format
CHEMBL595048 OBDepict N N N H CH 3 N N H NH S O O H 3 C IC50 = 8.0 nM 478.62 Cc1c(Nc2c(C#N)cncc2/C=C/CCN2CCC(NS(C)(=O)=O)CC2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070548 single protein format
CHEMBL1214932 OBDepict HN N N N N IC50 = 8.0 nM 291.36 c1cc(-c2cc3cnccc3c(N3CCNCC3)n2)ccn1 Homo sapiens CHEMBL2150523 single protein format
CHEMBL2147543 OBDepict NH 2 N N N N IC50 = 8.0 nM 305.39 NC1CCCN(c2nc(-c3ccncc3)cc3cnccc23)C1 Homo sapiens CHEMBL2150523 single protein format
CHEMBL3289013 OBDepict CH 3 O O H 3 C O HO O N CH 3 Ki = 8.08 nM 413.51 CCCC(CCC)C(=O)OCC1(CO)C/C(=Cc2ccc3ccn(C)c3c2)C(=O)O1 Homo sapiens CHEMBL3294518 single protein format
CHEMBL4174723 OBDepict HO O O O O CH 3 H 3 C CH 3 S Ki = 8.17 nM 374.46 CC(C)(C)C(=O)OCC1(CO)C/C(=Cc2csc3ccccc23)C(=O)O1 Homo sapiens CHEMBL4137135 assay format
CHEMBL3393756 OBDepict CH 3 O O HO O O H 3 C CH 3 H 3 C Ki = 8.3 nM 504.75 CCCCCC1CC1CC1CC1CCCCCCC/C=C1CC(CO)(COC(=O)C(C)(C)C)OC1=O Homo sapiens CHEMBL3396876 single protein format
CHEMBL4175128 OBDepict HO O O O O N Cl CH 3 H 3 C Ki = 9.5 nM 415.87 CN(C)c1ccc(C(=O)OCC2(CO)C/C(=Cc3ccc(Cl)cc3)C(=O)O2)cc1 Homo sapiens CHEMBL4137135 assay format
CHEMBL2151408 OBDepict CH 3 N N N N O N H O N H Cl IC50 = 9.8 nM 472.94 CN1CCN(c2nc(C3=C(c4c[nH]c5ccc(Cl)cc45)C(=O)NC3=O)c3ccccc3n2)CC1 Homo sapiens CHEMBL2156014 single protein format
CHEMBL3393742 OBDepict CH 3 O O O HO O H 3 C H 3 C Ki = 9.8 nM 504.75 CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C/C(=C/CC(C)C)C(=O)O1 Homo sapiens CHEMBL3396876 single protein format
CHEMBL432168 OBDepict OH HN O H H O H NH 2 O HO OH O OH O HO IC50 = 10.0 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 CHEMBL769119 single protein format
CHEMBL350335 OBDepict H 2 N S NH N S O N H O IC50 = 10.0 nM 460.58 N=C(N)SCCCn1c(-c2cc3ccccc3s2)c(C2=CC(=O)NC2=O)c2ccccc21 Homo sapiens CHEMBL769127 single protein format
CHEMBL177635 OBDepict HO N H O H NH O O OH HO O OH O HO IC50 = 10.0 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 CHEMBL758467 single protein format
CHEMBL265559 OBDepict HO N H O NH O O OH HO O OH O HO IC50 = 10.0 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 CHEMBL769116 single protein format
CHEMBL417051 OBDepict OH HN O H H O H NH 2 O HO OH O OH O HO IC50 = 10.0 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 CHEMBL769121 single protein format
CHEMBL59828 OBDepict HO HN O H NH H O O OH HO O OH O HO IC50 = 10.0 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 CHEMBL856214 single protein format
CHEMBL522428 OBDepict HO O O O O CH 3 H 3 C H 3 C Ki = 10.0 nM 404.46 CC(C)=C1CC(CO)(COC(=O)c2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O Homo sapiens CHEMBL1000240 single protein format
CHEMBL4163130 OBDepict HO O O O O CH 3 CH 3 H 3 C O H 3 C Ki = 10.14 nM 348.4 COc1ccc(/C=C2CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1 Homo sapiens CHEMBL4137135 assay format
CHEMBL2151413 OBDepict CH 3 N N N N O N H O N CH 3 H 3 C IC50 = 11.0 nM 480.57 CC(C)n1cc(C2=C(c3nc(N4CCN(C)CC4)nc4ccccc34)C(=O)NC2=O)c2ccccc21 Homo sapiens CHEMBL2156014 single protein format
CHEMBL3393747 OBDepict H 3 C O O O OH O CH 3 CH 3 Ki = 11.4 nM 480.73 CCCCCCCCCCCCCCCCCC(=O)OCC1(CO)C/C(=CCC(C)C)C(=O)O1 Homo sapiens CHEMBL3396876 single protein format
CHEMBL3393757 OBDepict H 3 C O O OH O O H 3 C H 3 C CH 3 Ki = 11.5 nM 480.73 CCCCCCCCCCCCCCCCC/C=C1CC(=O)OC1(CO)COC(=O)C(C)(C)C Homo sapiens CHEMBL3396876 single protein format
CHEMBL3289014 OBDepict H 3 C O O H 3 C O HO O N CH 3 Ki = 11.7 nM 413.51 CCCC(CCC)C(=O)OCC1(CO)C/C(=Cc2cccc3ccn(C)c23)C(=O)O1 Homo sapiens CHEMBL3294518 single protein format
CHEMBL570865 OBDepict CH O H 3 C N N H 3 C IC50 = 12.0 nM 422.57 C#Cc1cccc(-c2ccc(CN3CCN(C)CC3)o2)c1Cc1ccc2c(c1C)C=CC2 Homo sapiens CHEMBL1037485 single protein format
CHEMBL3393654 OBDepict H 3 C O O O OH O CH 3 CH 3 Ki = 12.2 nM 476.7 CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC1(CO)C/C(=C/CC(C)C)C(=O)O1 Homo sapiens CHEMBL3396876 single protein format
CHEMBL4175333 OBDepict HO O O O O CH 3 H 3 C CH 3 S Ki = 12.5 nM 374.46 CC(C)(C)C(=O)OCC1(CO)C/C(=C/c2csc3ccccc23)C(=O)O1 Homo sapiens CHEMBL4137135 assay format
CHEMBL2147544 OBDepict H 2 N NH N N N IC50 = 13.0 nM 279.35 NCCCNc1nc(-c2ccncc2)cc2cnccc12 Homo sapiens CHEMBL2150523 single protein format
CHEMBL28205 OBDepict H 3 C N H 3 C H NH H OH CH 3 H 3 C O Ki = 13.1 nM 402.62 CCCCCCCCCCc1ccc2c(c1)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C Homo sapiens CHEMBL772744 single protein format
CHEMBL3393751 OBDepict H 3 C O O O OH O CH 3 CH 3 Ki = 13.4 nM 472.67 CCCCCCC#CC#CCCCCCCCC(=O)OCC1(CO)C/C(=C/CC(C)C)C(=O)O1 Homo sapiens CHEMBL3396876 single protein format
CHEMBL461754 OBDepict H 3 C O O O OH O O O CH 3 Ki = 13.4 nM 398.41 COc1ccc(/C=C2CC(CO)(COC(=O)c3ccc(OC)cc3)OC2=O)cc1 Homo sapiens CHEMBL4137135 assay format
CHEMBL606245 OBDepict N N NH CH 3 N N H H NH 2 IC50 = 14.0 nM 400.53 Cc1c(Nc2c(C#N)cncc2/C=C/CCN2CCC[C@@H](N)C2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070548 single protein format
CHEMBL3289011 OBDepict H 3 C O O H 3 C O HO O N H 3 C Ki = 14.6 nM 413.51 CCCC(CCC)C(=O)OCC1(CO)C/C(=Cc2cccc3c2ccn3C)C(=O)O1 Homo sapiens CHEMBL3294518 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 = 14.9 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 CHEMBL772738 single protein format
CHEMBL422056 OBDepict HO HN O N H H O O OH OH O HO O OH IC50 = 15.0 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 CHEMBL766359 single protein format
CHEMBL3393755 OBDepict CH 3 O O HO O O H 3 C CH 3 H 3 C Ki = 15.2 nM 504.75 CCCCCC1CC1CC1CC1CCCCCCC/C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O Homo sapiens CHEMBL3396876 single protein format
CHEMBL2153755 OBDepict CH 3 N N N N F O N H O N H IC50 = 15.3 nM 456.48 CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccc(F)cc3n2)CC1 Homo sapiens CHEMBL2156014 single protein format
CHEMBL593619 OBDepict N N HN H 3 C N N H HN IC50 = 16.0 nM 372.48 Cc1c(Nc2c(C#N)cncc2/C=C/CN2CCNCC2)ccc2[nH]ccc12 Homo sapiens CHEMBL1070548 single protein format
CHEMBL4289707 OBDepict HO HN H H H H N H N N N H N O F F F IC50 = 16.0 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 CHEMBL4276097 assay format
CHEMBL2153752 OBDepict CH 3 N N N N O N H CH 3 O N H IC50 = 16.0 nM 452.52 Cc1ccc2nc(N3CCN(C)CC3)nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2c1 Homo sapiens CHEMBL2156014 single protein format
CHEMBL3393744 OBDepict CH 3 O O O O O HO O H 3 C H 3 C Ki = 16.3 nM 508.7 CCCCCC1OC1CC1OC1CCCCCCCC(=O)OCC1(CO)C/C(=C/CC(C)C)C(=O)O1 Homo sapiens CHEMBL3396876 single protein format
CHEMBL402818 OBDepict N N N H S CH 3 N H N H 3 C CH 3 IC50 = 17.0 nM 437.57 Cc1c(Nc2c(C#N)cnc3sc(-c4cccc(CN(C)C)c4)cc23)ccc2[nH]ccc12 Homo sapiens CHEMBL927984 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 = 17.0 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 CHEMBL2148241 single protein format
CHEMBL2046643 OBDepict CH 3 H 3 C H NH N N O F F F NH 2 N Ki = 17.0 nM 407.44 CC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1 Homo sapiens CHEMBL2049857 single protein format
CHEMBL2147538 OBDepict H 3 C H 2 N CH 3 NH N N N IC50 = 18.0 nM 293.37 CC(C)(N)CNc1nc(-c2ccncc2)cc2cnccc12 Homo sapiens CHEMBL2150523 single protein format
CHEMBL4064291 OBDepict CH 3 N CH 3 Cl O N H O N H 3 C IC50 = 18.0 nM 443.93 CN(C)Cc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c(Cl)ccc2c1 Homo sapiens CHEMBL4004543 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 18.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL769117 single protein format
CHEMBL508870 OBDepict CH 3 O O O O OH O N H 3 C CH 3 Ki = 18.2 nM 411.45 COc1ccc(C(=O)OCC2(CO)C/C(=Cc3ccc(N(C)C)cc3)C(=O)O2)cc1 Homo sapiens CHEMBL4137135 assay format
CHEMBL461374 OBDepict CH 3 O O O OH O O N CH 3 H 3 C Ki = 18.3 nM 411.45 COc1ccc(/C=C2CC(CO)(COC(=O)c3ccc(N(C)C)cc3)OC2=O)cc1 Homo sapiens CHEMBL4137135 assay format
CHEMBL568580 OBDepict CH 3 N N O N H O N H IC50 = 19.0 nM 436.52 CN1CCN(c2cc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3c2)CC1 Homo sapiens CHEMBL1040089 single protein format
CHEMBL2151410 OBDepict CH 3 N N N N O N H O N H Cl IC50 = 19.0 nM 472.94 CN1CCN(c2nc(C3=C(c4c[nH]c5c(Cl)cccc45)C(=O)NC3=O)c3ccccc3n2)CC1 Homo sapiens CHEMBL2156014 single protein format
CHEMBL4160540 OBDepict CH 3 N O O HO O O CH 3 CH 3 H 3 C Ki = 19.18 nM 413.51 CCCCn1cc(/C=C2CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc21 Homo sapiens CHEMBL4137135 assay format
CHEMBL3393746 OBDepict H 3 C O O O OH O CH 3 CH 3 Ki = 19.3 nM 480.73 CCCCCCCCCCCCCCCCCC(=O)OCC1(CO)C/C(=C/CC(C)C)C(=O)O1 Homo sapiens CHEMBL3396876 single protein format
CHEMBL4167900 OBDepict OH O O O O H 3 C CH 3 H 3 C N H 3 C CH 3 Ki = 19.36 nM 413.51 CC(C)Cn1cc(/C=C2CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc21 Homo sapiens CHEMBL4137135 assay format
CHEMBL300422 OBDepict OH HN O O OH HO O OH O HO IC50 = 20.0 nM 493.47 O=C(OC1CNCC1Cc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 Homo sapiens CHEMBL769111 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 = 21.0 nM 425.49 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21 Homo sapiens CHEMBL1028109 single protein format