HOME LIGAND hPROTEOME OTHERS DOCUMENT

O75164 | KDM4A_HUMAN | Lysine-specific demethylase 4A (KDM4A)

3D structures mapped by conservation among orthologs

[ Domain: "Double-stranded beta-helix" // JmjC ]

download pymol session

[ Domain: "SH3" // LBR_tudor_1 ]

download pymol session



[ 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
CHEMBL4438830 OBDepict CH 3 N H 3 C N N N N N N O H Ki = 2.0 nM 471.61 CN(C)CCc1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1 Homo sapiens CHEMBL4353730 single protein format
CHEMBL3774537 OBDepict Cl N N N N N N O H Ki = 3.0 nM 434.93 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(Cl)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353730 single protein format
CHEMBL4567766 OBDepict O N H N N N N N N Ki = 3.0 nM 477.57 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(-c6cccnc6)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353730 single protein format
CHEMBL4447515 OBDepict F N N N N N N O H Ki = 4.0 nM 418.48 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(F)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353730 single protein format
CHEMBL4585876 OBDepict H 3 C N H 3 C N N N N N N O H Ki = 4.0 nM 471.61 CN(C)CCc1ccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)cc1 Homo sapiens CHEMBL4353730 single protein format
CHEMBL4449500 OBDepict O N H N N N N N Ki = 4.0 nM 426.52 O=c1[nH]cnc2c(-n3cc(CCN4CCC5(CCc6ccccc65)CC4)cn3)nccc12 Homo sapiens CHEMBL4353730 single protein format
CHEMBL4573390 OBDepict Cl H 3 C N N N N N N O H Ki = 5.0 nM 448.96 CC1(c2cccc(Cl)c2)CCN(CCc2cnn(-c3nccc4c(=O)[nH]cnc34)c2)CC1 Homo sapiens CHEMBL4353730 single protein format
CHEMBL4525269 OBDepict O N H N N N N N Ki = 26.0 nM 364.45 O=c1[nH]cnc2c(-n3cc(C4CCN(CC5CCC5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353730 single protein format
CHEMBL4567766 OBDepict O N H N N N N N N IC50 = 56.0 nM 477.57 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(-c6cccnc6)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL4440395 OBDepict O N H N N N N N N O IC50 = 59.0 nM 513.65 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(CCN6CCOCC6)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL4438034 OBDepict O N H N N N N N N N IC50 = 68.0 nM 478.56 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(-c6cncnc6)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL4516101 OBDepict H N N O N N N N N F F F IC50 = 71.0 nM 551.62 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cc(CN6CCCC6)cc(C(F)(F)F)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL4466130 OBDepict O N H N N N N N N O IC50 = 77.0 nM 513.65 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(CCN6CCOCC6)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL3775894 OBDepict Cl Cl N N N N N N O H IC50 = 80.0 nM 469.38 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cc(Cl)cc(Cl)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL4592908 OBDepict O N H N N N N N N IC50 = 83.0 nM 483.62 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(CN6CCCC6)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL4447515 OBDepict F N N N N N N O H IC50 = 84.0 nM 418.48 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(F)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL4558689 OBDepict O N H N N N N N N N IC50 = 88.0 nM 478.56 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(-c6cncnc6)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL4585876 OBDepict H 3 C N H 3 C N N N N N N O H IC50 = 93.0 nM 471.61 CN(C)CCc1ccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)cc1 Homo sapiens CHEMBL4353688 assay format
CHEMBL3786952 OBDepict Cl CH 3 O N N N O OH IC50 = 99.0 nM 343.77 Cc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 Homo sapiens CHEMBL4223299 single protein format
CHEMBL4283431 OBDepict CH 3 N N N O OH IC50 = 100.0 nM 307.35 Cc1ccccc1CCn1cnc(-c2cc(C(=O)O)ccn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4284008 OBDepict F N H 3 C N N O OH IC50 = 100.0 nM 297.29 Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)cc1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4286972 OBDepict H 3 C N N N N O OH IC50 = 100.0 nM 322.37 CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccccc1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4286102 OBDepict Cl N CH 3 N N N O HO IC50 = 100.0 nM 356.81 CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccc(Cl)cc1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4290188 OBDepict Cl N N N N O HO IC50 = 100.0 nM 382.85 O=C(O)c1ccnc(-c2cn(CCN3CCCc4cc(Cl)ccc43)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4449500 OBDepict O N H N N N N N IC50 = 100.0 nM 426.52 O=c1[nH]cnc2c(-n3cc(CCN4CCC5(CCc6ccccc65)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL4293159 OBDepict OH O N N N IC50 = 100.0 nM 343.39 O=C(O)c1ccnc(-c2cn(CCc3cccc4ccccc34)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4295253 OBDepict OH O N N N F IC50 = 100.0 nM 323.33 O=C(O)c1ccnc(-c2cn(C3CCc4c(F)cccc43)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4286665 OBDepict F N N N O HO IC50 = 100.0 nM 323.33 O=C(O)c1ccnc(-c2cn(C3CCc4ccc(F)cc43)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4293359 OBDepict F N N N N O OH IC50 = 100.0 nM 352.37 O=C(O)c1ccnc(-c2cn(CCN3CCc4cc(F)ccc43)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4281219 OBDepict Cl CH 3 H 3 C N N N O HO IC50 = 100.0 nM 355.83 CC(C)(Cn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccccc1Cl Homo sapiens CHEMBL4257284 assay format
CHEMBL4281591 OBDepict F N N N O HO IC50 = 100.0 nM 297.29 O=C(O)c1ccnc(-c2cn(Cc3ccccc3F)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4290755 OBDepict H 3 C N N N O OH IC50 <= 100.0 nM 307.35 CCC(c1ccccc1)n1cnc(-c2cc(C(=O)O)ccn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4278227 OBDepict OH O N N N IC50 = 100.0 nM 305.34 O=C(O)c1ccnc(-c2cn(C3Cc4ccccc4C3)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4280613 OBDepict CH 3 O N N N O HO IC50 = 100.0 nM 323.35 COc1ccccc1CCn1cnc(-c2cc(C(=O)O)ccn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4285687 OBDepict CH 3 H 3 C N N N O OH IC50 = 100.0 nM 321.38 CC(C)C(c1ccccc1)n1cnc(-c2cc(C(=O)O)ccn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4282667 OBDepict F N N N O HO IC50 = 100.0 nM 297.29 O=C(O)c1ccnc(-c2cn(Cc3ccc(F)cc3)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL3787133 OBDepict CH 3 N N N O OH IC50 < 100.0 nM 203.2 Cn1cnc(-c2cc(C(=O)O)ccn2)c1 Homo sapiens CHEMBL3788935 assay format
CHEMBL4285323 OBDepict OH O N N N CH 3 IC50 <= 100.0 nM 293.33 CC(c1ccccc1)n1cnc(-c2cc(C(=O)O)ccn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4279259 OBDepict OH O N N N F F F IC50 <= 100.0 nM 361.32 O=C(O)c1ccnc(-c2cn(CCc3ccccc3C(F)(F)F)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4282361 OBDepict Cl N N N O HO IC50 <= 100.0 nM 327.77 O=C(O)c1ccnc(-c2cn(CCc3ccccc3Cl)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4292346 OBDepict F N N N N O HO IC50 <= 100.0 nM 366.4 O=C(O)c1ccnc(-c2cn(CCN3CCCc4cc(F)ccc43)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4289159 OBDepict OH O N N N N IC50 <= 100.0 nM 348.41 O=C(O)c1ccnc(-c2cn(CCN3CCCc4ccccc43)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4288875 OBDepict F N N N N O OH IC50 <= 100.0 nM 380.42 O=C(O)c1ccnc(-c2cn(CCN(Cc3ccc(F)cc3)C3CC3)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4289917 OBDepict H 3 C N N N F N O OH IC50 <= 100.0 nM 368.41 CCN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4282856 OBDepict CH 3 N N F N N O HO IC50 <= 100.0 nM 354.38 CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1cccc(F)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4283918 OBDepict CH 3 N N N F F F N O HO IC50 <= 100.0 nM 404.39 CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4278732 OBDepict H 3 C N N N CH 3 N O OH IC50 <= 100.0 nM 350.42 Cc1ccc(CN(C)CCn2cnc(-c3cc(C(=O)O)ccn3)c2)cc1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4279762 OBDepict H 3 C N N CH 3 N N O OH IC50 <= 100.0 nM 350.42 Cc1cccc(CN(C)CCn2cnc(-c3cc(C(=O)O)ccn3)c2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4290173 OBDepict O N N N N O HO IC50 <= 100.0 nM 300.32 O=C(O)c1ccnc(-c2cn(CCN3CCCC3=O)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4288025 OBDepict H 3 C N N N N O OH IC50 <= 100.0 nM 300.36 CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)CC1CC1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4287989 OBDepict CH 3 N N N N O OH IC50 <= 100.0 nM 300.36 CN1CCC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)CC1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4279284 OBDepict CH 3 N H 3 C O N N N O OH IC50 <= 100.0 nM 304.35 CN(C)CCOCCn1cnc(-c2cc(C(=O)O)ccn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4294777 OBDepict OH O N N N N IC50 <= 100.0 nM 286.34 O=C(O)c1ccnc(-c2cn(CCN3CCCC3)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4293019 OBDepict CH 3 N N N F N O HO IC50 <= 100.0 nM 354.39 CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4225358 OBDepict OH O N N N O IC50 <= 100.0 nM 295.3 O=C(O)c1ccnc(-n2nccc2OCc2ccccc2)c1 Homo sapiens CHEMBL4256952 assay format
CHEMBL3787669 OBDepict CH 3 N O HN N CH 3 CH 3 N O OH IC50 < 100.0 nM 308.38 CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)O)ccn1 Homo sapiens CHEMBL3789209 assay format
CHEMBL4287561 OBDepict HO O N N N O O Cl IC50 = 100.0 nM 399.83 O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(OCC3CC3)c2)c1 Homo sapiens CHEMBL4256952 assay format
CHEMBL4288884 OBDepict CH 3 O H 3 C O N N N O OH IC50 = 100.0 nM 339.35 COc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 Homo sapiens CHEMBL4256952 assay format
CHEMBL4287682 OBDepict OH O N N N IC50 <= 100.0 nM 333.39 O=C(O)c1ccnc(-c2cn(CC3CCCc4ccccc43)cn2)c1 Homo sapiens CHEMBL4257284 assay format
CHEMBL4283926 OBDepict H 3 C Cl O N N N O HO IC50 = 100.0 nM 343.77 Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(Cl)c1 Homo sapiens CHEMBL4256952 assay format
CHEMBL4290069 OBDepict F O O N N N F O HO IC50 = 100.0 nM 437.4 O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)cc2OCc2ccc(F)cc2)c1 Homo sapiens CHEMBL4256952 assay format
CHEMBL4289921 OBDepict H 3 C CH 3 O N N N O HO IC50 = 100.0 nM 323.35 Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C)c1 Homo sapiens CHEMBL4256952 assay format
CHEMBL4281202 OBDepict HO O N N N IC50 = 100.0 nM 293.33 O=C(O)c1ccnc(-n2ccc(CCc3ccccc3)n2)c1 Homo sapiens CHEMBL4256952 assay format
CHEMBL4228384 OBDepict OH N N N O OH IC50 = 100.0 nM 281.27 O=C(O)c1ccnc(-n2nccc2-c2cccc(O)c2)c1 Homo sapiens CHEMBL4256952 assay format
CHEMBL4228902 OBDepict F F N N N O HO IC50 = 100.0 nM 301.25 O=C(O)c1ccnc(-n2nccc2-c2ccc(F)cc2F)c1 Homo sapiens CHEMBL4256952 assay format
CHEMBL4227799 OBDepict H 3 C N N N O OH IC50 = 100.0 nM 279.3 Cc1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1 Homo sapiens CHEMBL4256952 assay format
CHEMBL4293252 OBDepict OH O N N N OH IC50 = 100.0 nM 245.24 O=C(O)c1ccnc(-n2nc(C3CC3)cc2O)c1 Homo sapiens CHEMBL4256952 assay format
CHEMBL3785421 OBDepict Cl O F F F O N H N O OH IC50 = 100.0 nM 386.71 O=C(O)c1ccnc2cc(OCc3ccc(Cl)c(OC(F)(F)F)c3)[nH]c12 Homo sapiens CHEMBL3788935 assay format
CHEMBL3786108 OBDepict CH 3 O Cl O N H N O HO IC50 = 100.0 nM 332.74 COc1cc(COc2cc3nccc(C(=O)O)c3[nH]2)ccc1Cl Homo sapiens CHEMBL3788935 assay format
CHEMBL3774537 OBDepict Cl N N N N N N O H IC50 = 102.0 nM 434.93 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(Cl)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL4590283 OBDepict O N H N N N N N N IC50 = 103.0 nM 477.57 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(-c6ccncc6)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL4216044 OBDepict CH 3 N H N H N O OH IC50 = 104.0 nM 387.48 CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O Homo sapiens CHEMBL4193853 single protein format
CHEMBL4573390 OBDepict Cl H 3 C N N N N N N O H IC50 = 107.0 nM 448.96 CC1(c2cccc(Cl)c2)CCN(CCc2cnn(-c3nccc4c(=O)[nH]cnc34)c2)CC1 Homo sapiens CHEMBL4353688 assay format
CHEMBL3774665 OBDepict O N H N N N N N S O O CH 3 IC50 = 109.0 nM 478.58 CS(=O)(=O)c1ccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)cc1 Homo sapiens CHEMBL3778805 assay format
CHEMBL3775121 OBDepict F F N N N N N N O H IC50 = 110.0 nM 436.47 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(F)cc5F)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL3775814 OBDepict N N N N N N N O H IC50 = 118.0 nM 425.5 N#Cc1ccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)cc1 Homo sapiens CHEMBL3778805 assay format
CHEMBL3775545 OBDepict H 3 C O N N N N N N O H IC50 = 123.0 nM 430.51 COc1ccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)cc1 Homo sapiens CHEMBL3778805 assay format
CHEMBL3775899 OBDepict Cl N N N N N N O H IC50 = 126.0 nM 448.96 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc(Cl)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL3775548 OBDepict O N H N N N N N F F F IC50 = 128.0 nM 468.48 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(C(F)(F)F)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL4559561 OBDepict O N H N N N N N N IC50 = 131.0 nM 477.57 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(-c6cccnc6)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL3775451 OBDepict O N H N N N N N O O IC50 = 136.0 nM 458.52 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc6c(c5)OCO6)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL4561958 OBDepict O N H N N N N N N IC50 = 136.0 nM 477.57 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(-c6ccccn6)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL3774456 OBDepict F F N N N N N N O H IC50 = 138.0 nM 436.47 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cc(F)cc(F)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL3775977 OBDepict Cl N N N N N N O H IC50 = 138.0 nM 434.93 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(Cl)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL4520178 OBDepict O N H N N N N N CH 3 H 3 C CH 3 IC50 = 141.0 nM 456.59 CC(C)(C)c1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1 Homo sapiens CHEMBL4353688 assay format
CHEMBL3775668 OBDepict O N H N N N N N S IC50 = 143.0 nM 406.52 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccs5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL4435185 OBDepict H 3 C CH 3 N N N N N N O H IC50 = 143.0 nM 454.58 Cc1ccc(C)c2c1CCC21CCN(CCc2cnn(-c3nccc4c(=O)[nH]cnc34)c2)CC1 Homo sapiens CHEMBL4353688 assay format
CHEMBL3774940 OBDepict Cl Cl N N N N N N O H IC50 = 144.0 nM 483.4 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc(Cl)c(Cl)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL3775277 OBDepict O N H N N N N N N IC50 = 145.0 nM 401.47 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccncc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL3775040 OBDepict F N N N N N N O H IC50 = 147.0 nM 432.5 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc(F)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL3775516 OBDepict O N H N N N N N F F F IC50 = 158.0 nM 482.51 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc(C(F)(F)F)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL3775953 OBDepict F N N N N N N O H IC50 = 175.0 nM 418.48 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(F)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL4476629 OBDepict CH 3 H 3 C N N N N N N O H IC50 = 178.0 nM 442.57 CC(C)c1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1 Homo sapiens CHEMBL4353688 assay format
CHEMBL3774392 OBDepict O N H N N N N N IC50 = 181.0 nM 414.51 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccccc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778805 assay format
CHEMBL4464471 OBDepict O N H N N N N N O IC50 = 184.0 nM 428.5 O=c1[nH]cnc2c(-n3cc(CCN4CCC5(CC4)OCc4ccccc45)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL4522584 OBDepict O N N N N N N N O H IC50 = 188.0 nM 483.58 O=C1CCCN1c1ccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)cc1 Homo sapiens CHEMBL4353688 assay format
CHEMBL3774692 OBDepict NH 2 S N N O OH IC50 = 200.0 nM 221.24 Nc1nc(-c2cc(C(=O)O)ccn2)cs1 Homo sapiens CHEMBL3778805 assay format
CHEMBL4538741 OBDepict CH 3 O N N N N N N O H IC50 = 212.0 nM 430.51 COc1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1 Homo sapiens CHEMBL4353688 assay format
CHEMBL4572027 OBDepict O N H N N N N N N IC50 = 218.0 nM 477.57 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(-c6ccccn6)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format
CHEMBL4553540 OBDepict H N N O N N N N F F F N O IC50 = 246.0 nM 581.64 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cc(CCN6CCOCC6)cc(C(F)(F)F)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353688 assay format