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P23458 | JAK1_HUMAN | Tyrosine-protein kinase JAK1 (JAK1)

3D structures mapped by conservation among orthologs

[ Domain: "Acyl-CoA binding protein-like" // B41_C ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "SH2" // SH2_1 ]

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[ Domain: "PH domain-like" // FERM_C_TYK2 ]

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[ Domain: "Ubiquitin-like" // B41_N ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL4859660 OBDepict NH 2 N F + N O NH O _ O IC50 = -44300.0 nM 378.36 Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804397 cell-based format
CHEMBL4860979 OBDepict F S N O O CH 3 N H 2 N O N H IC50 = -38600.0 nM 466.54 CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 Homo sapiens CHEMBL4804397 cell-based format
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -23300.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804397 cell-based format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = -22400.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804397 cell-based format
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -8200.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804397 cell-based format
CHEMBL3652408 OBDepict H 3 C O O N S O O H H N H 3 C N N N H IC50 = 0.00125 nM 465.62 COCCOC1CCCN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3ncnc4[nH]ccc34)CC2)C1 Homo sapiens CHEMBL3707925 single protein format
CHEMBL3652407 OBDepict H 3 C CH 3 O N S O O H H N H 3 C N N N H IC50 = 0.00133 nM 463.65 CC(C)COC1CCCN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3ncnc4[nH]ccc34)CC2)C1 Homo sapiens CHEMBL3707925 single protein format
CHEMBL3652404 OBDepict HO H N H CH 3 S O O H H N CH 3 N N N H IC50 = 0.00199 nM 421.57 C[C@H]1CN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3ncnc4[nH]ccc34)CC2)C[C@@H]1CO Homo sapiens CHEMBL3707925 single protein format
CHEMBL3652402 OBDepict HO H N S O O H H CH 3 H N CH 3 N N N H IC50 = 0.00508 nM 421.57 C[C@@H]1C[C@@H](CS(=O)(=O)N2CC[C@H](CO)C2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 Homo sapiens CHEMBL3707925 single protein format
CHEMBL3652406 OBDepict H 3 C N H N N N H H S N O O CH 3 OH IC50 = 0.00777 nM 407.54 CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CCC(C)(O)C2)CC1 Homo sapiens CHEMBL3707925 single protein format
CHEMBL3896068 OBDepict N N N N N H O O O H 2 N N F F F N N H IC50 = 0.01 nM 517.47 N#CCC1(n2cc(C(N)=O)c(Nc3ccc(-c4cn[nH]c4)nc3)n2)CCN(C(=O)OCC(F)(F)F)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL3947540 OBDepict N N N N H N H O NH 2 F F F S O O F F IC50 = 0.02 nM 534.51 N#CCC1(n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)F)cc3)n2)CCC(NCC(F)(F)F)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL4078799 OBDepict N H H N O N N H O NH 2 N N CH 3 IC50 = 0.02 nM 391.44 Cn1cc(-c2ccc(Nc3nn([C@H]4COCC[C@@H]4C#N)cc3C(N)=O)cc2)cn1 Homo sapiens CHEMBL4033003 assay format
CHEMBL3652403 OBDepict O O H 3 C H 3 C CH 3 H N S O O H H N CH 3 N N N H IC50 = 0.0227 nM 491.66 CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](OC(=O)C(C)(C)C)C2)CC1 Homo sapiens CHEMBL3707925 single protein format
CHEMBL3652409 OBDepict H 3 C O P O O O H CH 3 N S O O H H N H 3 C N N N H IC50 = 0.0235 nM 543.63 CCOP(=O)(OCC)O[C@@H]1CCCN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3ncnc4[nH]ccc34)CC2)C1 Homo sapiens CHEMBL3707925 single protein format
CHEMBL3652405 OBDepict CH 3 N N S O O H H N H 3 C N N N H IC50 = 0.0245 nM 406.56 CN1CCN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3ncnc4[nH]ccc34)CC2)CC1 Homo sapiens CHEMBL3707925 single protein format
CHEMBL3652410 OBDepict H 3 C N H N N N H H S N O O H O P O HO HO IC50 = 0.0263 nM 487.52 CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](OP(=O)(O)O)C2)CC1 Homo sapiens CHEMBL3707925 single protein format
CHEMBL3965448 OBDepict N N N H F N N H O O O NH 2 F F N F IC50 = 0.03 nM 469.4 N#CC[C@@]1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(C(=O)OCC(F)F)C[C@@H]1F Homo sapiens CHEMBL3888428 single protein format
CHEMBL3904265 OBDepict N N N N H N H O H 2 N F N F F IC50 = 0.03 nM 469.47 N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(Nc2ccc(F)cc2F)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL3929513 OBDepict N N N N N H O O O NH 2 N F F F N N CH 3 IC50 = 0.03 nM 531.5 Cn1cc(-c2ccc(Nc3nn(C4(CC#N)CCN(C(=O)OCC(F)(F)F)CC4)cc3C(N)=O)cn2)cn1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL4113249 OBDepict N H H N O N NH O NH 2 HO H 3 C F F IC50 = 0.03 nM 405.41 C[C@](O)(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)cc2C(N)=O)cc1)C(F)F Homo sapiens CHEMBL3888748 single protein format
CHEMBL3897977 OBDepict N N N N H N H O H 2 N Cl N F IC50 = 0.03 nM 481.96 N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2ccccc2Cl)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL3703048 OBDepict N H H N H N N N H O NH 2 HO CH 3 F F F IC50 = 0.04 nM 476.5 C[C@@](O)(c1ccc(Nc2nn([C@H]3CC[C@@H](N4CCC4)C[C@@H]3C#N)cc2C(N)=O)cc1)C(F)(F)F Homo sapiens CHEMBL3706329 single protein format
CHEMBL3950253 OBDepict N N N N H N H O H 2 N F N F IC50 = 0.04 nM 451.48 N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(Nc2ccccc2F)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL4066906 OBDepict N H H N O N N H O NH 2 S H CH 3 NH O O IC50 = 0.04 nM 416.46 C[C@@H]1NS(=O)(=O)c2ccc(Nc3nn([C@H]4COCC[C@@H]4C#N)cc3C(N)=O)cc21 Homo sapiens CHEMBL4033003 assay format
CHEMBL3940414 OBDepict N N N N H N H O NH 2 F F S O O F F IC50 = 0.04 nM 516.52 N#CCC1(n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)F)cc3)n2)CCC(NCC(F)F)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL3959005 OBDepict N N N N H N H O H 2 N F IC50 = 0.04 nM 446.53 N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCC(NCc2ccccc2)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL3933102 OBDepict N N N N N H O H 2 N HO N F IC50 = 0.04 nM 449.49 N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2cccc(O)c2)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL4106834 OBDepict N N N H F N HN O O O NH 2 H 3 C H 3 C CH 3 F IC50 = 0.05 nM 460.49 CC(C)(C)OC(=O)N1CC[C@](CC#N)(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@H](F)C1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL3972665 OBDepict N N N H F N NH O O H 2 N F F H 3 C N F IC50 = 0.05 nM 453.4 CC(F)(F)C(=O)N1CC[C@@](CC#N)(n2cc(C(N)=O)c(Nc3ccc(F)nc3)n2)[C@@H](F)C1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL4112743 OBDepict N H H N O N NH O NH 2 HO H 3 C F F IC50 = 0.05 nM 405.41 C[C@@](O)(c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)cc2C(N)=O)cc1)C(F)F Homo sapiens CHEMBL3888748 single protein format
CHEMBL4109943 OBDepict N H H N O N HN O NH 2 N O H 3 C CH 3 IC50 = 0.05 nM 382.42 CN(C)C(=O)c1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)cc2C(N)=O)cc1 Homo sapiens CHEMBL3888748 single protein format
CHEMBL3909092 OBDepict N CH 3 N N H 3 C H N N N N H IC50 = 0.055 nM 333.4 Cc1nc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)ccc1C#N Homo sapiens CHEMBL3888424 single protein format
CHEMBL3920398 OBDepict HO NH S O O N N CH 3 H N N N N H IC50 = 0.055 nM 417.5 CN(c1ccc(S(=O)(=O)NCCO)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3955948 OBDepict N N O CH 3 H N N N N H IC50 = 0.055 nM 284.32 CN(C(=O)CC#N)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3939379 OBDepict H 3 C N H N N N N H S N N O O CH 3 H IC50 = 0.055 nM 387.47 CN(c1ccc(NS(C)(=O)=O)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3979629 OBDepict N HN N O H 3 C H N N N N H IC50 = 0.055 nM 361.41 CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3932862 OBDepict H 3 C N H N N N S HN O O H HO N N H IC50 = 0.055 nM 457.56 CN(c1ccc(S(=O)(=O)NC2CCC[C@@H]2O)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3961670 OBDepict H N N N N H N CH 3 N N IC50 = 0.055 nM 295.35 CN(c1ccncn1)[C@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3965713 OBDepict CH 3 N H N N N N H S N N O O H 3 C CH 3 H IC50 = 0.055 nM 415.52 CC(C)S(=O)(=O)Nc1ccc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)nc1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3950650 OBDepict O N CH 3 H N Cl Cl N N N H IC50 = 0.055 nM 418.33 CN(C(=O)CCc1c(Cl)cccc1Cl)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3948216 OBDepict H 3 C N H N N N S HN O O OH CH 3 H N N H IC50 = 0.055 nM 431.52 C[C@H](O)CNS(=O)(=O)c1ccc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)nc1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3930305 OBDepict H 3 C N H N N N S NH O O O N N H IC50 = 0.055 nM 429.51 CN(c1ccc(S(=O)(=O)NC2COC2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3902579 OBDepict CH 3 HN S O O N N H 3 C H N N N N H IC50 = 0.055 nM 387.47 CNS(=O)(=O)c1ccc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)nc1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3914438 OBDepict O N H F HO H N CH 3 H N N N N H IC50 = 0.055 nM 474.54 CN(c1ccc(C(=O)NC[C@H](O)c2ccccc2)cc1F)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3891549 OBDepict H 3 C N H N N N S HN O O H H OH N N H IC50 = 0.055 nM 505.6 CN(c1ccc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2O)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3959358 OBDepict CH 3 N H N N N F F F N N H IC50 = 0.055 nM 362.36 CN(c1ccc(C(F)(F)F)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3917906 OBDepict H 3 C N H N N N S NH O O N N H IC50 = 0.055 nM 413.51 CN(c1ccc(S(=O)(=O)NC2CC2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3956529 OBDepict CH 3 N H N N S O O F F F N N H IC50 = 0.055 nM 425.44 CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3937835 OBDepict N N N H 3 C H N N N N H IC50 = 0.055 nM 319.37 CN(c1ccnc(C#N)c1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3917937 OBDepict CH 3 N H N N N HN S N N O O S H IC50 = 0.055 nM 457.59 CN(c1ccc(NS(=O)(=O)C2=CCCS2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3975138 OBDepict N N H 3 C H N N N N H IC50 = 0.055 nM 318.38 CN(c1cccc(C#N)c1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3949238 OBDepict CH 3 O HN S O O N N H 3 C H N N N N H IC50 = 0.055 nM 431.52 COCCNS(=O)(=O)c1ccc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)nc1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3905754 OBDepict H 3 C N H N N N S NH O O H O N N H IC50 = 0.055 nM 457.56 CN(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3912482 OBDepict CH 3 N H N N N S NH O O H 3 C H 3 C CH 3 N N H IC50 = 0.055 nM 429.55 CN(c1ccc(S(=O)(=O)NC(C)(C)C)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3945908 OBDepict H 3 C N H N F N N N N N N H N H IC50 = 0.055 nM 379.4 CN(c1ccc(-c2nnn[nH]2)cc1F)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3892184 OBDepict CH 3 N H N N N N H S N N O O N H IC50 = 0.055 nM 450.53 CN(c1ccc(NS(=O)(=O)c2cccnc2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3956880 OBDepict H 3 C N H N N N S N O O N N H IC50 = 0.055 nM 427.53 CN(c1ccc(S(=O)(=O)N2CCCC2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3975430 OBDepict O N N H CH 3 H N N F F F N N H IC50 = 0.055 nM 404.4 CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3951178 OBDepict H N N N N CH 3 H N N N N H IC50 = 0.055 nM 334.39 CN(c1cc2cn[nH]c2cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3897417 OBDepict CH 3 O O CH 3 N N N CH 3 H N N N N H IC50 = 0.055 nM 405.46 COc1cc2ncnc(N(C)[C@@H]3CCN(c4ncnc5[nH]ccc45)C3)c2cc1OC Homo sapiens CHEMBL3888424 single protein format
CHEMBL3890701 OBDepict CH 3 N H N N CH 3 N + N O _ O N N H IC50 = 0.055 nM 353.39 Cc1cc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)ncc1[N+](=O)[O-] Homo sapiens CHEMBL3888424 single protein format
CHEMBL3943572 OBDepict N N N H N N N N H IC50 = 0.055 nM 359.44 N#Cc1ccc(N(CC2CC2)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)nc1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3923455 OBDepict CH N H N N N N N N N H IC50 = 0.055 nM 344.38 C#CCN(c1cnc(C#N)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3959770 OBDepict Br N N H 3 C H N N N N H IC50 = 0.055 nM 373.26 CN(c1ccc(Br)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3959909 OBDepict CH N H N N N N N N H IC50 = 0.055 nM 343.39 C#CCN(c1ccc(C#N)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3920484 OBDepict Cl N N H 3 C H N N N N H IC50 = 0.055 nM 328.81 CN(c1ccc(Cl)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3928129 OBDepict CH 3 N H N N N S NH O O O N N H IC50 = 0.055 nM 457.56 CN(c1ccc(S(=O)(=O)NC2CCOCC2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3899672 OBDepict N N H 3 C H N N N N H IC50 = 0.055 nM 318.38 CN(c1ccc(C#N)cc1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3951700 OBDepict H 3 C O N N N H 3 C H N N N N H IC50 = 0.055 nM 349.4 COc1nc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)ccc1C#N Homo sapiens CHEMBL3888424 single protein format
CHEMBL3926865 OBDepict H 3 C N H N N N N H S N N O O F H IC50 = 0.055 nM 481.56 CN(c1ccc(NS(=O)(=O)Cc2ccccc2F)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3911472 OBDepict F NH S O O N N CH 3 H N N N N H IC50 = 0.055 nM 467.53 CN(c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3983040 OBDepict H 3 C N H N N N S N O O O N N H IC50 = 0.055 nM 443.53 CN(c1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3949513 OBDepict Cl HN N O H 3 C H N N N N H IC50 = 0.055 nM 370.84 CN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3935913 OBDepict CH 3 N H N N N N N H N IC50 = 0.055 nM 371.45 CN(c1ccc(-c2ccncc2)cn1)[C@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3966939 OBDepict O N N H CH 3 H N O N N N H IC50 = 0.055 nM 344.42 CN(C(=O)NC1CCOCC1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3963513 OBDepict N F F N H 3 C H N N N N H IC50 = 0.055 nM 354.36 CN(c1cc(F)c(C#N)c(F)c1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3905903 OBDepict H 3 C N H N N N S N O O HN N N H IC50 = 0.055 nM 442.55 CN(c1ccc(S(=O)(=O)N2CCNCC2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3937190 OBDepict O N N H 3 C H N N N N H IC50 = 0.055 nM 314.39 CN(C(=O)N1CCCC1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3917626 OBDepict F NH S O O N N CH 3 H N N N N H IC50 = 0.055 nM 481.56 CN(c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 Homo sapiens CHEMBL3888424 single protein format
CHEMBL3703023 OBDepict N H H N H N N N H CH 3 CH 3 O NH 2 HO H F F F IC50 = 0.06 nM 490.53 CC1(C)CN([C@@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc([C@H](O)C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 Homo sapiens CHEMBL3706329 single protein format
CHEMBL3895272 OBDepict N N N N NH O NH 2 F N F IC50 = 0.06 nM 437.45 N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCN(c2cccnc2F)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL3984300 OBDepict N N N N N H O O O NH 2 N F F F HO F F F IC50 = 0.06 nM 549.43 N#CCC1(n2cc(C(N)=O)c(Nc3ccc(C(O)C(F)(F)F)nc3)n2)CCN(C(=O)OCC(F)(F)F)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL3703042 OBDepict N H H N H N N N H CH 3 CH 3 O NH 2 HO H 3 C F F F IC50 = 0.06 nM 504.56 CC1(C)CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc([C@@](C)(O)C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 Homo sapiens CHEMBL3706329 single protein format
CHEMBL4096821 OBDepict N H H N O N N H O NH 2 N N N IC50 = 0.06 nM 378.4 N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(-n3ccnn3)cc2)n1 Homo sapiens CHEMBL4033003 assay format
CHEMBL3929641 OBDepict N N N N H N H O H 2 N N F IC50 = 0.06 nM 433.49 N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(Nc2ccccc2)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL3945594 OBDepict N N N N N H O H 2 N F N F IC50 = 0.06 nM 451.48 N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2ccccc2F)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL3703037 OBDepict N H H N H N N N H CH 3 CH 3 O NH 2 HO H F F F IC50 = 0.06 nM 490.53 CC1(C)CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc([C@@H](O)C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 Homo sapiens CHEMBL3706329 single protein format
CHEMBL3703064 OBDepict N H H N H N N N H CH 3 CH 3 O NH 2 HO H F F F IC50 = 0.06 nM 490.53 CC1(C)CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc([C@H](O)C(F)(F)F)cc4)n3)[C@@H](C#N)C2)C1 Homo sapiens CHEMBL3706329 single protein format
CHEMBL3914149 OBDepict N N N N N H O H 2 N F N F IC50 = 0.07 nM 451.48 N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2cccc(F)c2)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL4072848 OBDepict N O H 3 C NH N N O H 2 N H O H N IC50 = 0.07 nM 366.38 COc1cc(Nc2nn([C@H]3COCC[C@@H]3C#N)cc2C(N)=O)ccc1C#N Homo sapiens CHEMBL4033003 assay format
CHEMBL3946128 OBDepict N N N N N H O O O NH 2 F F N F IC50 = 0.07 nM 451.41 N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(C(=O)OCC(F)F)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL4061128 OBDepict N NH N N O H 2 N H O H N IC50 = 0.07 nM 336.36 N#Cc1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)cc2C(N)=O)cc1 Homo sapiens CHEMBL3888748 single protein format
CHEMBL3893735 OBDepict N N N N H N H O H 2 N Cl N F IC50 = 0.07 nM 467.94 N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(Nc2cccc(Cl)c2)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL4746726 OBDepict F O F N N H N N N H H O N N N Ki = 0.075 nM 410.34 O=C(Nc1c[nH]nc1-c1cc2cn[nH]c2cc1OC(F)F)c1cnn2cccnc12 Homo sapiens CHEMBL4666929 cell-based format
CHEMBL3973424 OBDepict N N N N NH N O NH 2 F IC50 = 0.08 nM 419.46 N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCN(c2ccccn2)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL3911515 OBDepict N N N N H N H O NH 2 O S O O F F IC50 = 0.08 nM 536.61 N#CCC1(n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)F)cc3)n2)CCC(NC2CCOCC2)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL3914311 OBDepict N N N N N H CH 3 O NH 2 N F IC50 = 0.08 nM 447.52 CN(c1ccccc1)C1CCC(CC#N)(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CC1 Homo sapiens CHEMBL3888428 single protein format
CHEMBL3702973 OBDepict CH 3 N H H N N N HN O NH 2 S O O F F F IC50 = 0.08 nM 470.48 CNC1CCC(n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@@H](C#N)C1 Homo sapiens CHEMBL3706329 single protein format
CHEMBL3943909 OBDepict N N N N H N H O H 2 N F N F IC50 = 0.08 nM 465.51 N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2ccccc2F)CC1 Homo sapiens CHEMBL3888428 single protein format