HOME LIGAND hPROTEOME OTHERS DOCUMENT

P05412 | JUN_HUMAN | Transcription factor Jun (JUN)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL337665 OBDepict H 3 C O N N H N N S O O H 3 C IC50 = 3.0 nM 366.4 COc1ccc2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c2c1 Homo sapiens CHEMBL3367171 cell-based format
CHEMBL129857 OBDepict CH 3 O N H N N N O O S H 3 C IC50 = 8.0 nM 366.4 COc1cccc2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c12 Homo sapiens CHEMBL3367171 cell-based format
CHEMBL43549 OBDepict CH 3 O O N HN N N S O O CH 3 IC50 = 20.0 nM 358.38 CCOC(=O)c1cnc(-c2cccs2)nc1NN1C(=O)C=C(C)C1=O Homo sapiens CHEMBL3367171 cell-based format
CHEMBL1761563 OBDepict H 3 C N N N N H N N N N O IC50 = 20.0 nM 464.53 Cc1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc23)cn1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL132495 OBDepict Cl N N CH 3 N H O F F F F F F IC50 = 20.0 nM 383.68 Cc1nc(Cl)ncc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL645946 cell-based format
CHEMBL487194 OBDepict H 3 C H 3 C O O H O O H H CH 3 H H OH O H OH H 3 C H H HO H 3 C O IC50 = 32.0 nM 478.54 CCC(C)C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3[C@]4(O)OC[C@@]23[C@@H]1[C@@H](C)[C@H]4O Homo sapiens CHEMBL1061338 cell-based format
CHEMBL85822 OBDepict CH 3 O O N N CH 3 N N CH 3 O O H 3 C IC50 = 35.0 nM 318.33 CCOC(=O)c1cnc(N(C)N2C(=O)C=C(C)C2=O)nc1CC Homo sapiens CHEMBL3367171 cell-based format
CHEMBL458347 OBDepict H 3 C OH CH 3 O O H O O H H CH 3 H H HO O H HO CH 3 H H OH CH 3 O IC50 = 40.0 nM 494.54 CC[C@](C)(O)C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@H]3[C@@]24CO[C@@]3(O)[C@H](O)[C@H](C)[C@H]14 Homo sapiens CHEMBL1061338 cell-based format
CHEMBL1761561 OBDepict H 3 C N N N N N H N N N N H IC50 = 40.0 nM 445.49 Cc1ccc(-c2ncn(-c3ccc(Nc4ncc5ccc(-c6cn[nH]c6)cc5n4)cc3)n2)cn1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL1761583 OBDepict CH 3 N N N N N H N N N N O IC50 = 40.0 nM 529.61 Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2-c2ccccc2)cn1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL1761582 OBDepict CH 3 N N N N N N N H CH 3 N N N N O IC50 = 40.0 nM 533.6 Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2-c2cnn(C)c2)cn1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL86615 OBDepict H 3 C O O N N S NH N H 3 C O O H 3 C IC50 = 45.0 nM 372.41 CCOC(=O)c1cnc(NN2C(=O)C=C(C)C2=O)nc1-c1ccc(C)s1 Homo sapiens CHEMBL3367171 cell-based format
CHEMBL336546 OBDepict Cl N N F F F N H O F F F F F F IC50 = 50.0 nM 437.65 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F Homo sapiens CHEMBL645946 cell-based format
CHEMBL1761584 OBDepict CH 3 O N N N N N H H 3 C N N N N O IC50 = 50.0 nM 483.54 COc1c(-c2cnn(C)c2)ccc2cnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)nc12 Homo sapiens CHEMBL1763333 single protein format
CHEMBL250854 OBDepict CH 3 O H HO OH N H O H 3 C IC50 = 65.0 nM 365.43 COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)CN1CCC[C@H]1[C@H]3O Homo sapiens CHEMBL888216 cell-based format
CHEMBL250474 OBDepict H 3 C O HO H N O CH 3 IC50 = 68.0 nM 349.43 COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)CN1CCC[C@@H]1C3 Homo sapiens CHEMBL888216 cell-based format
CHEMBL564009 OBDepict H 3 C CH 3 O O H H O H CH 3 CH 3 O O H H H HO H CH 3 HO H HO H OH IC50 = 71.0 nM 478.54 CC(C)=CC(=O)O[C@@H]1[C@H]2C(C)=C[C@H](O)[C@@H](O)[C@]2(C)[C@@H]2[C@]34CO[C@]2(O)[C@H](O)[C@H](C)[C@@H]3CC(=O)O[C@H]14 Homo sapiens CHEMBL1061338 cell-based format
CHEMBL315804 OBDepict O N HN H 3 C O N N F F F O IC50 = 98.0 nM 376.29 CC1=CC(=O)N(Nc2ncc(C(=O)c3ccccc3)c(C(F)(F)F)n2)C1=O Homo sapiens CHEMBL3367171 cell-based format
CHEMBL3341912 OBDepict Cl N N S O N H F F F IC50 = 100.0 nM 331.71 O=C1Nc2cc(C(F)(F)F)ccc2Sc2nc(Cl)ncc21 Homo sapiens CHEMBL3367171 cell-based format
CHEMBL131006 OBDepict F N N F F F N H O F F F F F F IC50 = 100.0 nM 421.19 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(F)nc1C(F)(F)F Homo sapiens CHEMBL645946 cell-based format
CHEMBL1761577 OBDepict CH 3 N N Cl N N N H N N N N O IC50 = 100.0 nM 487.96 Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2Cl)cn1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL42952 OBDepict CH 3 O O N NH N N O O H 3 C IC50 = 100.0 nM 352.35 CCOC(=O)c1cnc(-c2ccccc2)nc1NN1C(=O)C=C(C)C1=O Homo sapiens CHEMBL3367171 cell-based format
CHEMBL398325 OBDepict H 3 C O H OH O N H H 3 C O CH 3 IC50 = 110.0 nM 379.46 COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCC[C@H]1[C@@H]3O Homo sapiens CHEMBL888216 cell-based format
CHEMBL1761555 OBDepict H N N N N N H N N N N O IC50 = 120.0 nM 439.48 c1cc(-n2cnc(N3CCOCC3)n2)ccc1Nc1ncc2ccc(-c3cn[nH]c3)cc2n1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL1761581 OBDepict CH 3 N N N N N H N N N N O IC50 = 130.0 nM 493.58 Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2C2CC2)cn1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL1761579 OBDepict H 3 C N N CH 3 N N N H N N N N O IC50 = 160.0 nM 467.54 Cc1c(-c2cnn(C)c2)ccc2cnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)nc12 Homo sapiens CHEMBL1763333 single protein format
CHEMBL1761569 OBDepict H 3 C N N N N H N N N S IC50 = 200.0 nM 385.46 Cc1ncn(-c2ccc(Nc3ncc4cccc(-c5nccs5)c4n3)cc2)n1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL340779 OBDepict Cl N N Cl N H O F F F F F F IC50 = 200.0 nM 404.1 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1Cl Homo sapiens CHEMBL645946 cell-based format
CHEMBL87274 OBDepict O N N H CH 3 O N N F F F O O H 3 C H 3 C CH 3 IC50 = 210.0 nM 372.3 CC1=CC(=O)N(Nc2ncc(C(=O)OC(C)(C)C)c(C(F)(F)F)n2)C1=O Homo sapiens CHEMBL3367171 cell-based format
CHEMBL1761565 OBDepict CH 3 O F N N N H N N N N O IC50 = 250.0 nM 497.53 COc1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc23)cc1F Homo sapiens CHEMBL1763333 single protein format
CHEMBL1761562 OBDepict CH 3 N N N N N H N N N N IC50 = 290.0 nM 445.49 Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(-c6ccccn6)n5)cc4)nc3c2)cn1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL337656 OBDepict Cl N N N H O F F F F F F IC50 = 300.0 nM 369.65 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1 Homo sapiens CHEMBL645946 cell-based format
CHEMBL87433 OBDepict CH 3 O O N N F F F N N CH 3 O O CH 3 IC50 = 300.0 nM 358.28 CCOC(=O)c1cnc(N(C)N2C(=O)C=C(C)C2=O)nc1C(F)(F)F Homo sapiens CHEMBL3367171 cell-based format
CHEMBL339462 OBDepict H 3 C N Cl N N H O F F F F F F IC50 = 300.0 nM 397.71 CCc1nc(Cl)ncc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL645946 cell-based format
CHEMBL1761554 OBDepict CH 3 N N N N N H N N N N O IC50 = 310.0 nM 453.51 Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2)cn1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL1761564 OBDepict CH 3 N N N N N H N N N N O IC50 = 330.0 nM 453.51 Cn1cc(-c2cccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc23)cn1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL423150 OBDepict Cl N N N H O F F F F F F IC50 = 400.0 nM 445.75 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1-c1ccccc1 Homo sapiens CHEMBL645946 cell-based format
CHEMBL83026 OBDepict CH 3 O O N N CH 3 N H N O O H 3 C IC50 = 400.0 nM 304.31 CCOC(=O)c1cnc(NN2C(=O)C=C(C)C2=O)nc1CC Homo sapiens CHEMBL3367171 cell-based format
CHEMBL1761568 OBDepict H 3 C O F N N HN N N N CH 3 IC50 = 500.0 nM 426.46 COc1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(C)n5)cc4)nc23)cc1F Homo sapiens CHEMBL1763333 single protein format
CHEMBL3341901 OBDepict Cl N N H 3 C N H O Cl Cl IC50 = 500.0 nM 316.58 Cc1nc(Cl)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL3367171 cell-based format
CHEMBL262514 OBDepict CH 3 N Cl N N H O F F F F F F IC50 = 500.0 nM 411.73 CCCc1nc(Cl)ncc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL645946 cell-based format
CHEMBL3341956 OBDepict H 3 C NH S N N N O O CH 3 IC50 = 500.0 nM 440.53 CNc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2OC)s1 Homo sapiens CHEMBL3367176 cell-based format
CHEMBL421280 OBDepict Cl N N F F F F F N H O F F F F F F IC50 = 600.0 nM 487.66 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)C(F)(F)F Homo sapiens CHEMBL645946 cell-based format
CHEMBL1761578 OBDepict Cl N N N N N H H 3 C CH 3 N N N N O IC50 = 620.0 nM 516.01 CC(C)n1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2Cl)cn1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL1761572 OBDepict CH 3 N N N N H O O IC50 = 630.0 nM 356.39 Cc1ccc(-c2cccc3cnc(Nc4ccc5c(c4)OCO5)nc23)cn1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL248176 OBDepict CH 3 HN N O N H N N Cl N H IC50 = 704.0 nM 398.9 CCNC(=O)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1 Homo sapiens CHEMBL886374 cell-based format
CHEMBL393659 OBDepict O N N CH 3 H 3 C NH N N Cl N H IC50 = 741.0 nM 398.9 CN(C)C(=O)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1 Homo sapiens CHEMBL886374 cell-based format
CHEMBL3341914 OBDepict H 3 C O N N N S N H N O O CH 3 IC50 = 760.0 nM 367.39 CC1=CC(=O)N(Nc2ncc(-c3coc(C)n3)c(-c3cccs3)n2)C1=O Homo sapiens CHEMBL3367171 cell-based format
CHEMBL245935 OBDepict CH 3 N N H N O NH N N Cl N H IC50 = 807.0 nM 468.01 CC1CCN(NC(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)CC1 Homo sapiens CHEMBL886374 cell-based format
CHEMBL245733 OBDepict CH 3 N N O N H N N Cl N H IC50 = 813.0 nM 452.99 CC1CCN(C(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)CC1 Homo sapiens CHEMBL886374 cell-based format
CHEMBL3341913 OBDepict H 3 C N N N H N N O H 3 C O O CH 3 IC50 = 830.0 nM 313.32 CCc1nc(NN2C(=O)C=C(C)C2=O)ncc1-c1coc(C)n1 Homo sapiens CHEMBL3367171 cell-based format
CHEMBL1761575 OBDepict HO NH N N N CH 3 IC50 = 930.0 nM 334.42 Cc1ccc(-c2cccc3cnc(NC4CCC(O)CC4)nc23)cn1 Homo sapiens CHEMBL1763333 single protein format
CHEMBL42719 OBDepict H 3 C O O N N H N N F F F O O CH 3 IC50 = 1000.0 nM 344.25 CCOC(=O)c1cnc(C(F)(F)F)nc1NN1C(=O)C=C(C)C1=O Homo sapiens CHEMBL3367171 cell-based format