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P41743 | KPCI_HUMAN | Protein kinase C iota type (PRKCI)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Ubiquitin-like" // PB1 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4212424 OBDepict F N H O H 3 C N N N N H IC50 = 2.7 nM 427.48 COc1cc2c(cc1-c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)CNC(CF)C2 Homo sapiens CHEMBL4189551 assay format
CHEMBL4202753 OBDepict CH 3 O N N HN N N H IC50 = 2.8 nM 395.47 COc1cc2c(cc1-c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)CNCC2 Homo sapiens CHEMBL4189551 assay format
CHEMBL4208685 OBDepict CH 3 O N N H 3 C HN N N H IC50 = 3.8 nM 409.49 COc1cc2c(cc1-c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)CNC(C)C2 Homo sapiens CHEMBL4189551 assay format
CHEMBL4206065 OBDepict H 3 C O N N N CH 3 N N H IC50 = 5.0 nM 395.47 COc1cc2c(cc1-c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)CN(C)C2 Homo sapiens CHEMBL4189551 assay format
CHEMBL4216507 OBDepict H 3 C O N H N N N N H IC50 = 6.5 nM 381.44 COc1cc2c(cc1-c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)CNC2 Homo sapiens CHEMBL4189551 assay format
CHEMBL4208028 OBDepict H 3 C O N N H N N N N H IC50 = 30.0 nM 382.43 COc1cc2c(cc1-n1cnc3cnc(-c4ccnc5[nH]ccc45)cc31)CNC2 Homo sapiens CHEMBL4189551 assay format
CHEMBL4568087 OBDepict H 3 C N N N N N S N H O H H H 2 N IC50 = 37.0 nM 421.53 Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479769 assay format
CHEMBL4213984 OBDepict H 3 C O N N H N N N H IC50 = 48.0 nM 381.44 COc1cc2c(cc1-n1cnc3ccc(-c4ccnc5[nH]ccc45)cc31)CNC2 Homo sapiens CHEMBL4189551 assay format
CHEMBL4212934 OBDepict H 3 C O N N H N N N N H IC50 = 65.0 nM 382.43 COc1cc2c(cc1-n1cnc3ccc(-c4ccnc5[nH]ccc45)nc31)CNC2 Homo sapiens CHEMBL4189551 assay format
CHEMBL4637651 OBDepict H 2 N N N N S N IC50 = 70.0 nM 379.53 NCC1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1 Homo sapiens CHEMBL4623321 single protein format
CHEMBL3728863 OBDepict H H 2 N N H N S N N HO IC50 < 100.0 nM 455.59 N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CC3(O)CCC3)csc12)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728899 OBDepict CH S N N N H N H 2 N H IC50 < 100.0 nM 385.5 C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3733296 OBDepict H 3 C S N N N H N NH 2 H IC50 < 100.0 nM 399.52 CC#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3727415 OBDepict H H 2 N N H N S N N F H 3 C H IC50 < 100.0 nM 431.54 C[C@@H](F)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3730419 OBDepict F S N N NH N H 2 N H IC50 < 100.0 nM 417.51 N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CCF)csc12)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3727484 OBDepict H N N N S N N NH N H 2 N H IC50 < 100.0 nM 428.53 N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3cn[nH]n3)csc12)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3732024 OBDepict H N N S N N NH N H 2 N H IC50 < 100.0 nM 451.56 N[C@H](CNc1nc(-c2ccncc2)nc2c(C#Cc3cc[nH]n3)csc12)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3730404 OBDepict H 3 C N H O S N N N H N NH 2 H IC50 < 100.0 nM 418.53 CNC(=O)c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3733028 OBDepict N S N N N H N H 2 N H IC50 < 100.0 nM 386.48 N#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3731776 OBDepict H H 2 N N H N S N N HO IC50 < 100.0 nM 469.61 N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CC3(O)CCCC3)csc12)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728571 OBDepict H 3 C S N N HN N H 2 N H IC50 = 100.0 nM 427.58 CCCC#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3730828 OBDepict H HN NH N S N N N H N N IC50 = 100.0 nM 390.48 c1cnc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)cn1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728967 OBDepict H 3 C O S N N HN N H 2 N H IC50 < 100.0 nM 429.55 COCC#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728548 OBDepict H 3 C S N N N H N NH 2 H IC50 < 100.0 nM 375.5 Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3732952 OBDepict F N N N N H NH N S N H HN IC50 = 100.0 nM 408.47 Fc1cnc(Nc2cnccn2)cc1-c1nc(N[C@@H]2CCNC2)c2sccc2n1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3729791 OBDepict H HN NH N S N N N H CH 3 H IC50 = 100.0 nM 416.55 C[C@@H](Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728584 OBDepict NH 2 NH N N S CH 3 O NH 2 N IC50 = 100.0 nM 328.4 Cc1c(C(N)=O)sc2nc(-c3ccncc3)nc(NCCN)c12 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3731525 OBDepict H 3 C N N N H N N N NH S H HN IC50 = 100.0 nM 404.5 Cc1ccc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)nn1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3729940 OBDepict O N H S N N N HN S H NH IC50 = 100.0 nM 422.54 O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1cccs1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3731535 OBDepict CH 3 O N H O N N N HN S H NH IC50 = 100.0 nM 446.54 COc1cccc(C(=O)Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)c1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3729368 OBDepict O HN N N N N H S H N H IC50 = 100.0 nM 380.48 O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)C1CC1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3727637 OBDepict H N H NH N S N N HO H 3 C CH 3 IC50 = 100.0 nM 379.49 CC(C)(O)C#Cc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3732659 OBDepict H HN NH N S N N N H N IC50 = 100.0 nM 465.59 c1ccc(-c2ccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)nc2)cc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728881 OBDepict H N H N H N S N N N H N N O IC50 = 100.0 nM 474.59 c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(Nc2ccc(N3CCOCC3)cn2)n1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3732541 OBDepict CH 3 N N N N H N N N HN S H NH IC50 = 100.0 nM 487.64 CN1CCN(c2ccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)nc2)CC1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3729348 OBDepict N N N H N N N HN S H NH IC50 = 100.0 nM 414.5 N#Cc1ccc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)nc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3731806 OBDepict CH 3 N N HN N N N HN S H N H IC50 = 100.0 nM 486.65 CN1CCN(c2cccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)c2)CC1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3732947 OBDepict H N H N H N S N N N H N IC50 = 100.0 nM 471.63 c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(Nc2ccc(N3CCCCC3)cc2)n1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3727913 OBDepict CH 3 N N O N H N N N HN S H NH IC50 = 100.0 nM 514.66 CN1CCN(C(=O)c2ccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)cc2)CC1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3732473 OBDepict Br H 3 C S N N N H N H 2 N H IC50 < 100.0 nM 454.4 Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1Br Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3730395 OBDepict H NH HN N S N N N H N N IC50 = 100.0 nM 468.59 c1cn(Cc2ccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)cc2)cn1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728090 OBDepict H N H N H N S N N N H S IC50 = 100.0 nM 470.63 c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(Nc2ccc(-c3ccsc3)cc2)n1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3732519 OBDepict F N N N N H S NH 2 H OH H 3 C H 3 C IC50 = 100.0 nM 461.57 CC(C)(O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3F)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728196 OBDepict F N H O N N N HN S H NH IC50 = 100.0 nM 434.5 O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccc(F)cc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728075 OBDepict CH 3 N N N H O N N N NH S H HN IC50 = 100.0 nM 514.66 CN1CCN(c2ccc(C(=O)Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)cc2)CC1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728175 OBDepict O HN N N N N O HN S H N H IC50 = 100.0 nM 501.62 O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccc(N2CCOCC2)cc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3727413 OBDepict H N N S N N NH N H 2 N H IC50 < 100.0 nM 427.54 N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3ccn[nH]3)csc12)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3727824 OBDepict H N N CH 3 S N N N H N NH 2 H IC50 < 100.0 nM 441.56 Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccn[nH]1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3732660 OBDepict Br S N N N H H N N H IC50 < 100.0 nM 376.28 Brc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3727836 OBDepict Br S N N HN N NH 2 H IC50 < 100.0 nM 440.37 N[C@H](CNc1nc(-c2ccncc2)nc2c(Br)csc12)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3731583 OBDepict H 3 C S N N N HN N IC50 < 100.0 nM 311.41 Cc1csc2nc(-c3ccncc3)nc(N3CCNCC3)c12 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3732675 OBDepict H NH 2 N H N N S N IC50 < 100.0 nM 415.57 N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3729239 OBDepict HO NH 2 H N H N N S N IC50 < 100.0 nM 431.57 N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1O Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3729275 OBDepict F N N N N H S NH 2 H OH H 3 C H IC50 = 100.0 nM 447.54 C[C@H](O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3F)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3733114 OBDepict H H 2 N CH 3 HN N N S N IC50 < 100.0 nM 339.47 C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3727604 OBDepict Cl S N N HN N NH 2 H IC50 < 100.0 nM 395.92 N[C@H](CNc1nc(-c2ccncc2)nc2c(Cl)csc12)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3730322 OBDepict F N N N N H S Br NH 2 H IC50 < 100.0 nM 458.36 N[C@H](CNc1nc(-c2ccncc2F)nc2c(Br)csc12)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3727390 OBDepict H NH HN N S N N N H S IC50 = 100.0 nM 470.63 c1csc(-c2ccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)cc2)c1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728978 OBDepict CH 3 O H 2 N H HN N N S N IC50 = 100.0 nM 445.59 COc1ccc(C[C@H](N)CNc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)cc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3732216 OBDepict CH 3 N N H S N N N H N NH 2 H IC50 < 100.0 nM 455.59 CCc1cc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)[nH]n1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3730554 OBDepict H NH 2 O N N S N IC50 = 100.0 nM 416.55 N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3731369 OBDepict CH 3 Br S N N N H N H 2 N H IC50 = 100.0 nM 454.4 Cc1c(Br)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3729660 OBDepict H H 2 N N H N S N N S N IC50 = 100.0 nM 422.58 N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cscn1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728018 OBDepict CH 3 S Br N N NH H N H N IC50 = 100.0 nM 390.31 Cc1sc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc2c1Br Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3730412 OBDepict F N N N N H S H 2 N H HO IC50 = 100.0 nM 473.58 N[C@H](CNc1nc(-c2ccncc2F)nc2c(C#CC3(O)CCC3)csc12)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3731903 OBDepict CH 3 H 3 C S N N N H N H 2 N H IC50 = 100.0 nM 389.53 Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1C Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3731001 OBDepict H N N N N N H S NH 2 H IC50 = 100.0 nM 404.54 N[C@H](CNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3)Cc1ccccc1 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3731958 OBDepict H 2 N HN N N S CH 3 N H 3 C N H IC50 = 100.0 nM 342.47 Cc1n[nH]c(C)c1-c1nc(NCCN)c2c3c(sc2n1)CCCC3 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3728291 OBDepict H 2 N HN N N S N N H IC50 = 100.0 nM 314.42 NCCNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3733037 OBDepict H H 2 N CH 3 O N N S N IC50 = 100.0 nM 340.45 C[C@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3729774 OBDepict HO H 2 N H N H N N S N IC50 = 100.0 nM 431.57 N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccc(O)c1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3727561 OBDepict CH 3 NH 2 H N H N N S N IC50 = 100.0 nM 429.59 Cc1cccc(C[C@H](N)CNc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)c1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728395 OBDepict NH 2 O N N S N IC50 = 100.0 nM 326.43 NCCOc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3732514 OBDepict H 3 C S N N N HN N IC50 = 100.0 nM 325.44 Cc1csc2nc(-c3ccncc3)nc(N3CCCNCC3)c12 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3731862 OBDepict H NH 2 H 3 C NH N N S N IC50 = 100.0 nM 353.5 C[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3729218 OBDepict CH 3 S N N NH OH H 3 C H 3 C H N H N IC50 = 100.0 nM 393.52 Cc1sc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc2c1C#CC(C)(C)O Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728690 OBDepict H NH 2 H 3 C NH N N S N IC50 = 100.0 nM 353.5 C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3733184 OBDepict CH 3 S N N H N H 2 N H N IC50 = 100.0 nM 429.59 CC1CCc2c(sc3nc(-c4ccncc4)nc(NC[C@@H](N)Cc4ccccc4)c23)C1 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3728988 OBDepict H NH 2 HN N N S N IC50 = 100.0 nM 429.59 N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3)Cc1ccccc1 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3732944 OBDepict N H N N N S N IC50 = 100.0 nM 379.53 c1cc(-c2nc(N3CCCNCC3)c3c4c(sc3n2)CCCCC4)ccn1 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3732699 OBDepict N H N N N S N IC50 = 100.0 nM 365.51 c1cc(-c2nc(N3CCNCC3)c3c4c(sc3n2)CCCCC4)ccn1 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3728024 OBDepict NH 2 HN N N S N IC50 = 100.0 nM 339.47 NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3733094 OBDepict H NH 2 N H N N S S N IC50 = 100.0 nM 433.61 N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCSC3)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3730360 OBDepict H NH 2 N H N N S N O O IC50 = 100.0 nM 473.6 N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCC1(C3)OCCO1)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3732346 OBDepict H NH 2 HN N N S N IC50 = 100.0 nM 443.62 N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3)Cc1ccccc1 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3728077 OBDepict H NH 2 N H N N N S N IC50 = 100.0 nM 416.55 N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccnc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728744 OBDepict H 3 C CH 3 S N N NH N NH 2 H IC50 = 100.0 nM 427.58 CC(C)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3733036 OBDepict H 2 N O S CH 3 N N H N NH 2 H N IC50 = 100.0 nM 418.53 Cc1c(C(N)=O)sc2nc(-c3ccncc3)nc(NC[C@@H](N)Cc3ccccc3)c12 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3728387 OBDepict Br S CH 3 N N N H H N H N IC50 = 100.0 nM 390.31 Cc1c(Br)sc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3731795 OBDepict H N S N N NH N H 2 N H IC50 = 100.0 nM 426.55 N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3cc[nH]c3)csc12)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3727941 OBDepict H N S N N NH N H 2 N H IC50 = 100.0 nM 426.55 N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3ccc[nH]3)csc12)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3729436 OBDepict H 3 C S S N N N H N NH 2 H IC50 = 100.0 nM 457.63 Cc1ccsc1-c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3728749 OBDepict H N N S N N NH N H 2 N H IC50 = 100.0 nM 427.54 N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3cn[nH]c3)csc12)Cc1ccccc1 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3731614 OBDepict Cl S N N N N N H IC50 = 100.0 nM 381.89 Clc1cccc2sc3c(N4CCNCC4)nc(-c4ccncc4)nc3c12 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3728477 OBDepict H 2 N HN N S N Cl N IC50 = 100.0 nM 355.85 NCCNc1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3732860 OBDepict CH 3 N CH 3 S N NH N H 2 N CH 3 H N IC50 = 100.0 nM 364.48 Cc1cc(C)c2c(n1)sc1c(NC[C@H](C)N)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3727783 OBDepict CH 3 S N N HN N H 2 N CH 3 H IC50 = 100.0 nM 299.4 Cc1csc2c(NC[C@H](C)N)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734166 cell-based format
CHEMBL3732477 OBDepict CH 3 O H 3 C CH 3 S N N N H N H 2 N H IC50 = 100.0 nM 457.6 COC(C)(C)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3731344 OBDepict F NH 2 H N H N N S N IC50 = 100.0 nM 433.56 N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1F Homo sapiens CHEMBL3734165 cell-based format
CHEMBL3727818 OBDepict H 3 C S N N N N N H IC50 = 100.0 nM 325.44 Cc1csc2c(N3CCCNCC3)nc(-c3ccncc3)nc12 Homo sapiens CHEMBL3734166 cell-based format