HOME LIGAND hPROTEOME OTHERS DOCUMENT

P55263 | ADK_HUMAN | Adenosine kinase (ADK)

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
CHEMBL330432 OBDepict NH 2 H O H OH H N H HO N I N Cl IC50 = 0.1 nM 410.6 NC[C@H]1O[C@@H](n2cc(I)c3c(Cl)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643547 single protein format
CHEMBL370164 OBDepict O NH N H N Cl N N H O H OH H H 3 C H HO IC50 = 0.2 nM 493.95 C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NCC(=O)Nc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL99707 OBDepict NH 2 H O H OH H N H HO N Br N H 2 N IC50 = 0.2 nM 344.17 NC[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643547 single protein format
CHEMBL194294 OBDepict F N H N N N H O H HO H OH IC50 = 0.3 nM 432.45 O[C@H]1[C@@H](O)[C@H](n2cc(-c3ccccc3)c3c(Nc4ccc(F)cc4)ncnc32)OC12CC2 Homo sapiens CHEMBL872316 single protein format
CHEMBL226486 OBDepict NH 2 N N S N N O IC50 = 0.4 nM 413.51 Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1-c1cc2ccccc2s1 Homo sapiens CHEMBL903819 single protein format
CHEMBL343247 OBDepict HO H O H HO H N H OH N N N H IC50 = 0.47 nM 418.45 OC[C@@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL642224 single protein format
CHEMBL100421 OBDepict H O N H HO H CH 3 N H HO N N H IC50 = 0.5 nM 402.45 C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643544 single protein format
CHEMBL370011 OBDepict SH N NH N N N H O H OH H H 3 C H HO IC50 = 0.5 nM 439.54 C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NC/C(S)=NC4CC4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL426472 OBDepict O HN N H N N N H O H HO H CH 3 H OH IC50 = 0.5 nM 459.51 C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NCC(=O)Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL200169 OBDepict O NH N H N N N H O H OH H HO IC50 = 0.6 nM 445.48 O=C(CNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1OC[C@@H](O)[C@H]1O)Nc1ccccc1 Homo sapiens CHEMBL864546 single protein format
CHEMBL322611 OBDepict NH 2 H O H OH H N H HO N I N H 2 N IC50 = 0.6 nM 391.17 NC[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643547 single protein format
CHEMBL319315 OBDepict HO H O H HO H N H OH N N N H IC50 = 0.8 nM 418.45 OC[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643544 single protein format
CHEMBL200630 OBDepict CH 3 N H O N H N N N H O H HO H CH 3 H OH IC50 = 0.8 nM 397.44 CNC(=O)CNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL436598 OBDepict H O N H HO H CH 3 N H HO N N H IC50 = 0.8 nM 402.45 C[C@@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL642224 single protein format
CHEMBL198566 OBDepict HO H O H HO H N H HO N N N N H HN O IC50 = 0.9 nM 476.49 O=C(CNc1ncnc2c1c(-c1ccccc1)nn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Nc1ccccc1 Homo sapiens CHEMBL864546 single protein format
CHEMBL225729 OBDepict Cl N H 2 N N N N N O CH 3 IC50 = 1.0 nM 432.92 CC(=O)N1CCN(c2ccc(C#Cc3ncnc(N)c3-c3ccc(Cl)cc3)cn2)CC1 Homo sapiens CHEMBL903819 single protein format
CHEMBL370218 OBDepict CH 3 N N N H N H O H HO H OH O O IC50 = 1.0 nM 460.49 Cc1ccccc1-c1cn([C@@H]2OC[C@@H](O)[C@H]2O)c2ncnc(Nc3ccc4c(c3)OCCO4)c12 Homo sapiens CHEMBL872316 single protein format
CHEMBL98551 OBDepict OH N H N N N H O H OH H H 3 C H HO IC50 = 1.0 nM 418.45 C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccc(O)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643544 single protein format
CHEMBL225672 OBDepict CH 3 O N CH 3 N N N H 2 N Cl IC50 = 1.0 nM 393.88 COCCN(C)c1ccc(C#Cc2ncnc(N)c2-c2ccc(Cl)cc2)cn1 Homo sapiens CHEMBL903819 single protein format
CHEMBL449402 OBDepict NH 2 N N O N N O IC50 = 1.0 nM 397.44 Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1-c1cc2ccccc2o1 Homo sapiens CHEMBL903819 single protein format
CHEMBL317603 OBDepict H 3 C O N N N H N H O H HO H CH 3 H OH N IC50 = 1.0 nM 457.49 COc1ccc(-c2cn([C@@H]3O[C@H](C)[C@@H](O)[C@H]3O)c3ncnc(Nc4ccc(C#N)cc4)c23)cc1 Homo sapiens CHEMBL643544 single protein format
CHEMBL328826 OBDepict Br N N H O N N H H HO H CH 3 H OH IC50 = 1.0 nM 481.35 C[C@H]1O[C@@H](n2c(Br)c(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643544 single protein format
CHEMBL174158 OBDepict H N N H N N N O IC50 = 1.0 nM 411.51 c1ccc(CN2C[C@@H]3CCCN(c4ncnc5oc(-c6ccccc6)nc45)[C@@H]3C2)cc1 Homo sapiens CHEMBL643545 assay format
CHEMBL438449 OBDepict O NH N H N N N H O H OH H H 3 C H HO IC50 = 1.0 nM 451.53 C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NCC(=O)NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL318918 OBDepict Cl N N N H N H O H HO H CH 3 H OH IC50 = 1.2 nM 436.9 C[C@H]1O[C@@H](n2cc(-c3ccc(Cl)cc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643544 single protein format
CHEMBL372796 OBDepict O N H NH O N N N H O H OH H H 3 C H HO IC50 = 1.3 nM 437.46 C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NC(=O)C(=O)NC4CC4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL370654 OBDepict O HN N H N N N H O H OH H CH 3 H OH IC50 = 1.3 nM 437.5 C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NCC(=O)NC4CCC4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL62576 OBDepict Br N NH 2 N N N N S IC50 = 1.3 nM 479.41 Nc1ncnc2nc(-c3ccc(N4CCSCC4)nc3)cc(-c3cccc(Br)c3)c12 Homo sapiens CHEMBL645534 single protein format
CHEMBL65665 OBDepict Br N NH 2 N N N N O O IC50 = 1.4 nM 519.4 Nc1ncnc2nc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cc(-c3cccc(Br)c3)c12 Homo sapiens CHEMBL645534 single protein format
CHEMBL360273 OBDepict H N N H N N N O IC50 = 1.5 nM 397.48 c1ccc(CN2CC[C@H]3CN(c4ncnc5oc(-c6ccccc6)nc45)C[C@H]32)cc1 Homo sapiens CHEMBL643545 assay format
CHEMBL66277 OBDepict F N H N N N H O H OH H H 3 C H HO IC50 = 1.5 nM 420.44 C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643544 single protein format
CHEMBL98867 OBDepict _ N + N N H O H OH H N H HO N N N H IC50 = 1.5 nM 443.47 [N-]=[N+]=NC[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643544 single protein format
CHEMBL344529 OBDepict OH H O H OH H N H HO N N N H F IC50 = 1.5 nM 436.44 OC[C@@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL642224 single protein format
CHEMBL318929 OBDepict CH 3 N H N N N H O H OH H H 3 C H HO IC50 = 1.5 nM 416.48 Cc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL643544 single protein format
CHEMBL66089 OBDepict Br N NH 2 N N N N O IC50 = 1.7 nM 463.34 Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 Homo sapiens CHEMBL643558 single protein format
CHEMBL62974 OBDepict OH N N N N N H 2 N Br IC50 = 1.8 nM 477.37 Nc1ncnc2nc(-c3ccc(N4CCC(O)CC4)nc3)cc(-c3cccc(Br)c3)c12 Homo sapiens CHEMBL645534 single protein format
CHEMBL371704 OBDepict CH 3 O N H N N N H O H OH H HO IC50 = 2.0 nM 432.48 CCOc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3[C@@H]2OC[C@@H](O)[C@H]2O)c1 Homo sapiens CHEMBL872316 single protein format
CHEMBL200575 OBDepict CH 3 O N H O N H N N N H O H HO H CH 3 H OH IC50 = 2.0 nM 455.52 COCCCNC(=O)CNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL197112 OBDepict H 2 N O N H N N N H O H HO H CH 3 H OH IC50 = 2.0 nM 383.41 C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NCC(N)=O)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL435120 OBDepict CH 3 O N N N H N H O H OH H HO N IC50 = 2.0 nM 457.49 CCOc1ccc(-c2cn([C@@H]3OC[C@@H](O)[C@H]3O)c3ncnc(Nc4ccc(C#N)cc4)c23)cc1 Homo sapiens CHEMBL872316 single protein format
CHEMBL317818 OBDepict Cl N H N N N H O H OH H H 3 C H HO IC50 = 2.3 nM 436.9 C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643544 single protein format
CHEMBL338508 OBDepict NH 2 N N N N O IC50 = 2.5 nM 399.5 Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1CCCc1ccccc1 Homo sapiens CHEMBL912349 single protein format
CHEMBL432062 OBDepict Cl N H N N N H O H OH Cl H H 3 C H HO IC50 = 2.7 nM 471.34 C[C@H]1O[C@@H](n2cc(-c3ccc(Cl)cc3)c3c(Nc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643544 single protein format
CHEMBL101805 OBDepict Br N NH 2 N N N N N O O IC50 = 2.8 nM 576.5 Nc1ncnc2nc(-c3ccc(N4CCC(COC5CCOCC5)CC4)nn3)cc(-c3cccc(Br)c3)c12 Homo sapiens CHEMBL643559 single protein format
CHEMBL141327 OBDepict HO H O H HO H N H OH N N N N H IC50 = 2.8 nM 419.44 OC[C@@H]1O[C@@H](n2nc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL642224 single protein format
CHEMBL197756 OBDepict H 3 C O N H N N N H O H OH H HO IC50 = 3.0 nM 432.48 CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3[C@@H]2OC[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL872316 single protein format
CHEMBL371909 OBDepict O NH NH N N N H O H OH H H 3 C H HO IC50 = 3.0 nM 423.47 C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NCC(=O)NC4CC4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL225671 OBDepict Cl N NH 2 N N N O IC50 = 3.0 nM 391.86 Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL903819 single protein format
CHEMBL198635 OBDepict OH H O H OH H N H OH N N N H N H O IC50 = 3.0 nM 439.47 O=C(CNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)NC1CC1 Homo sapiens CHEMBL864546 single protein format
CHEMBL225633 OBDepict Cl N NH 2 N N CH 3 CH 3 IC50 = 3.0 nM 348.84 CN(C)c1ccc(C#Cc2ncnc(N)c2-c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL903819 single protein format
CHEMBL225695 OBDepict Br N NH 2 N N CH 3 CH 3 IC50 = 3.0 nM 393.29 CN(C)c1ccc(C#Cc2ncnc(N)c2-c2ccc(Br)cc2)cc1 Homo sapiens CHEMBL903819 single protein format
CHEMBL329724 OBDepict Cl N N I N H O H OH H H 3 C H HO IC50 = 3.0 nM 395.58 C[C@H]1O[C@@H](n2cc(I)c3c(Cl)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643547 single protein format
CHEMBL302404 OBDepict Br N NH 2 N N N N IC50 = 3.4 nM 447.34 Nc1ncnc2nc(-c3ccc(N4CCCC4)nc3)cc(-c3cccc(Br)c3)c12 Homo sapiens CHEMBL645534 single protein format
CHEMBL99565 OBDepict H O N H OH H H 3 C N H OH O N N H IC50 = 3.6 nM 392.42 C[C@H]1O[C@@H](n2cc(-c3ccco3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643544 single protein format
CHEMBL191309 OBDepict Br N S NH 2 N N IC50 = 3.8 nM 397.3 Nc1ncnc2nc(-c3cccs3)c(Cc3cccc(Br)c3)cc12 Homo sapiens CHEMBL877308 single protein format
CHEMBL364049 OBDepict H OH O H HO H N N N N H O O IC50 = 4.0 nM 446.46 O[C@@H]1CO[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccc5c(c4)OCCO5)ncnc32)[C@@H]1O Homo sapiens CHEMBL872316 single protein format
CHEMBL371044 OBDepict CH 3 CH 3 N H O N H N N N H O H HO H CH 3 H OH IC50 = 4.0 nM 439.52 CC(C)CNC(=O)CNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL373218 OBDepict H OH O H HO H N N N N H IC50 = 4.0 nM 388.43 O[C@@H]1CO[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@@H]1O Homo sapiens CHEMBL872316 single protein format
CHEMBL435123 OBDepict CH 3 O N H O N N N H O H HO H CH 3 H OH IC50 = 4.0 nM 412.45 CCCOC(=O)Nc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL356141 OBDepict NH 2 H O H OH H N H HO N N Br N H 2 N IC50 = 4.0 nM 345.16 NC[C@H]1O[C@@H](n2nc(Br)c3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL642224 single protein format
CHEMBL62524 OBDepict Br N N NH 2 N N N CH 3 N IC50 = 4.1 nM 498.39 CN(Cc1cccnc1)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1 Homo sapiens CHEMBL645534 single protein format
CHEMBL62342 OBDepict CH 3 O H N N N N N H 2 N Br IC50 = 4.12 nM 477.37 CO[C@@H]1CCCN1c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1 Homo sapiens CHEMBL645534 single protein format
CHEMBL381682 OBDepict Br N H N N N H O H HO H OH IC50 = 5.0 nM 467.32 O[C@@H]1CO[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccc(Br)cc4)ncnc32)[C@@H]1O Homo sapiens CHEMBL872316 single protein format
CHEMBL226392 OBDepict CH 3 N H 3 C N N NH 2 N H 3 C CH 3 IC50 = 5.0 nM 357.46 CN(C)c1ccc(C#Cc2ncnc(N)c2-c2ccc(N(C)C)cc2)cc1 Homo sapiens CHEMBL903819 single protein format
CHEMBL438796 OBDepict CH 3 O N H O N H N N N H O H HO H CH 3 H OH IC50 = 5.0 nM 427.46 CCONC(=O)CNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL196483 OBDepict H 3 C O N N N H N H O H HO H OH O CH 3 IC50 = 5.3 nM 462.51 CCOc1ccc(-c2cn([C@@H]3OC[C@@H](O)[C@H]3O)c3ncnc(Nc4ccccc4OC)c23)cc1 Homo sapiens CHEMBL872316 single protein format
CHEMBL436096 OBDepict O NH NH N N N N H O H OH H H 3 C H HO IC50 = 6.0 nM 424.46 C[C@H]1O[C@@H](n2nc(-c3ccccc3)c3c(NCC(=O)NC4CC4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL98744 OBDepict CH 3 O N H N N N H O H OH H H 3 C H HO IC50 = 6.0 nM 432.48 COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL643544 single protein format
CHEMBL387630 OBDepict Cl N N N O N CH 3 CH 3 IC50 = 6.0 nM 418.93 CN(C)c1ccc(C#Cc2ncnc(N3CCOCC3)c2-c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL903819 single protein format
CHEMBL194952 OBDepict H O N H HO H OH N I N H 2 N IC50 = 6.0 nM 362.13 Nc1ncnc2c1c(I)cn2[C@@H]1OC[C@@H](O)[C@H]1O Homo sapiens CHEMBL872316 single protein format
CHEMBL225670 OBDepict Cl N NH 2 N N N CH 3 CH 3 IC50 = 6.0 nM 349.83 CN(C)c1ccc(C#Cc2ncnc(N)c2-c2ccc(Cl)cc2)cn1 Homo sapiens CHEMBL903819 single protein format
CHEMBL381229 OBDepict O NH N H N N N H O H OH H H 3 C H HO IC50 = 6.0 nM 437.5 C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NCC(=O)NCC4CC4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL197801 OBDepict F N H N N N H O H HO H OH IC50 = 6.0 nM 406.42 O[C@@H]1CO[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccc(F)cc4)ncnc32)[C@@H]1O Homo sapiens CHEMBL872316 single protein format
CHEMBL225727 OBDepict Cl N H 2 N N N N N S N O O H 3 C CH 3 IC50 = 6.0 nM 498.01 CN(C)S(=O)(=O)N1CCN(c2ccc(C#Cc3ncnc(N)c3-c3ccc(Cl)cc3)cn2)CC1 Homo sapiens CHEMBL903819 single protein format
CHEMBL99829 OBDepict H 2 N H O H HO H N H OH N N N H IC50 = 6.3 nM 417.47 NC[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643544 single protein format
CHEMBL105216 OBDepict Br N H 2 N N N N N H OH H OH IC50 = 6.5 nM 479.34 Nc1ncnc2nc(-c3ccc(N4C[C@H](O)[C@H](O)C4)nc3)cc(-c3cccc(Br)c3)c12 Homo sapiens CHEMBL643559 single protein format
CHEMBL198143 OBDepict N N H N N N H O H OH Cl H HO IC50 = 7.0 nM 447.88 N#Cc1ccc(Nc2ncnc3c2c(-c2ccc(Cl)cc2)cn3[C@@H]2OC[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL872316 single protein format
CHEMBL200219 OBDepict CH 3 N H O N H N N N H O H HO H CH 3 H OH IC50 = 7.0 nM 425.49 CCCNC(=O)CNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O Homo sapiens CHEMBL864546 single protein format
CHEMBL103812 OBDepict Br N NH 2 N N N N N N O O IC50 = 7.1 nM 575.47 Nc1ncnc2nc(-c3ccc(N4CCC(=NOC5CCOCC5)CC4)nn3)cc(-c3cccc(Br)c3)c12 Homo sapiens CHEMBL643559 single protein format
CHEMBL102989 OBDepict H 3 C O H N H O N CH 3 N N N N H 2 N Br IC50 = 7.2 nM 536.43 CCO[C@H]1CN(c2ccc(-c3cc(-c4cccc(Br)c4)c4c(N)ncnc4n3)nn2)C[C@H]1OCC Homo sapiens CHEMBL643559 single protein format
CHEMBL319197 OBDepict N H N H OH N N N N H 2 N Br IC50 = 7.5 nM 488.35 N#C[C@H]1CN(c2ccc(-c3cc(-c4cccc(Br)c4)c4c(N)ncnc4n3)cn2)C[C@H]1O Homo sapiens CHEMBL643559 single protein format
CHEMBL185372 OBDepict Br N N H 3 C N N N N CH 3 CH 3 IC50 = 7.5 nM 433.31 CN(C)c1ccc(C#Cc2ncnc3c2c(-c2cccc(Br)c2)nn3C)cn1 Homo sapiens CHEMBL828146 single protein format
CHEMBL104983 OBDepict Br N NH 2 N N N N O IC50 = 7.5 nM 475.35 Nc1ncnc2nc(-c3ccc(N4CC5CC4CO5)nc3)cc(-c3cccc(Br)c3)c12 Homo sapiens CHEMBL643559 single protein format
CHEMBL225886 OBDepict Cl NH 2 N N N N O IC50 = 8.0 nM 391.86 Nc1ncnc(C#Cc2cncc(N3CCOCC3)c2)c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL903819 single protein format
CHEMBL226504 OBDepict Cl N N N HN N CH 3 CH 3 IC50 = 8.0 nM 417.94 CN(C)c1ccc(C#Cc2ncnc(N3CCNCC3)c2-c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL903819 single protein format
CHEMBL372666 OBDepict CH 3 O Br N S NH 2 N N IC50 = 8.0 nM 413.3 COc1ccc(-c2cc3c(N)ncnc3nc2-c2cccs2)cc1Br Homo sapiens CHEMBL877308 single protein format
CHEMBL438476 OBDepict Cl N NH 2 N N N N O IC50 = 8.0 nM 392.85 Nc1ncnc(C#Cc2cnc(N3CCOCC3)nc2)c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL903819 single protein format
CHEMBL103909 OBDepict Br N N NH 2 N N N OH O O IC50 = 8.1 nM 561.44 Nc1ncnc2nc(-c3ccc(N4CCC(O)(C5CCOC5=O)CC4)nc3)cc(-c3cccc(Br)c3)c12 Homo sapiens CHEMBL643559 single protein format
CHEMBL102712 OBDepict Br N NH 2 N N N N O O IC50 = 8.3 nM 519.4 Nc1ncnc2nc(-c3ccc(N4CCC5(CC4)COCO5)nc3)cc(-c3cccc(Br)c3)c12 Homo sapiens CHEMBL643559 single protein format
CHEMBL225781 OBDepict Cl N NH 2 N N N IC50 = 9.0 nM 389.89 Nc1ncnc(C#Cc2ccc(N3CCCCC3)nc2)c1-c1ccc(Cl)cc1 Homo sapiens CHEMBL903819 single protein format
CHEMBL66280 OBDepict NH 2 N N I N H O H OH H H 3 C H HO IC50 = 9.0 nM 376.15 C[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643547 single protein format
CHEMBL386316 OBDepict NH 2 N N O O N H 3 C CH 3 IC50 = 9.0 nM 358.4 CN(C)c1ccc(C#Cc2ncnc(N)c2-c2ccc3c(c2)OCO3)cc1 Homo sapiens CHEMBL912349 single protein format
CHEMBL99025 OBDepict CH 3 O N H N N N O H O H OH H H 3 C H HO IC50 = 9.0 nM 422.44 COc1ccc(Nc2ncnc3c2c(-c2ccco2)cn3[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1 Homo sapiens CHEMBL643544 single protein format
CHEMBL193286 OBDepict CH 3 N S NH 2 N N IC50 = 9.0 nM 318.41 Cc1ccc(-c2cc3c(N)ncnc3nc2-c2cccs2)cc1 Homo sapiens CHEMBL877308 single protein format
CHEMBL449407 OBDepict _ N + N N H O H OH H N H HO N I N Cl IC50 = 9.0 nM 436.6 [N-]=[N+]=NC[C@H]1O[C@@H](n2cc(I)c3c(Cl)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL643547 single protein format
CHEMBL65664 OBDepict Br N NH 2 N N N N N O O IC50 = 10.0 nM 574.48 Nc1ncnc2nc(-c3ccc(N4CCC(=NOC5CCOCC5)CC4)nc3)cc(-c3cccc(Br)c3)c12 Homo sapiens CHEMBL643559 single protein format
CHEMBL366539 OBDepict CH 3 N CH 3 N N O N N N N IC50 = 10.0 nM 441.54 CN(C)c1ccc(-c2nc3c(N4CC5CCN(Cc6ccccc6)C5C4)ncnc3o2)cn1 Homo sapiens CHEMBL643545 assay format
CHEMBL380998 OBDepict H 2 N N N N H N H O H OH H HO F IC50 = 10.0 nM 421.43 Nc1cccc(-c2cn([C@@H]3OC[C@@H](O)[C@H]3O)c3ncnc(Nc4ccc(F)cc4)c23)c1 Homo sapiens CHEMBL872316 single protein format
CHEMBL116872 OBDepict NH 2 N N NH N N N H N O IC50 = 10.0 nM 452.52 Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(NCc3c[nH]c4ccccc34)c12 Homo sapiens CHEMBL643558 single protein format
CHEMBL375255 OBDepict NH 2 N N O O N N O IC50 = 10.0 nM 401.43 Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1-c1ccc2c(c1)OCO2 Homo sapiens CHEMBL903819 single protein format