HOME LIGAND hPROTEOME OTHERS DOCUMENT

P29375 | KDM5A_HUMAN | Lysine-specific demethylase 5A (KDM5A)

3D structures mapped by conservation among orthologs

[ Domain: "tri-helical" // ARID ]

download pymol session

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

download pymol session

[ Domain: "FYVE/PHD zinc finger" // PHD ]

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
CHEMBL3786038 OBDepict CH 3 CH 3 N O N H N N N N HO IC50 = 2.3 nM 350.38 CCc1c(C)[nH]c2c(-c3cnn(-c4cc(CO)ccn4)c3)cnn2c1=O Homo sapiens CHEMBL3789200 cell-based format
CHEMBL4228806 OBDepict H 3 C N CH 3 N O N N O OH F IC50 = 3.0 nM 384.41 CN(C)CCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4229271 OBDepict N O N N N O OH IC50 = 4.0 nM 320.31 N#Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4542928 OBDepict H 3 C N CH 3 N H CH 3 CH 3 O N N N IC50 = 4.37 nM 419.57 CCCCCCN(C)CCc1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1 Homo sapiens CHEMBL4424782 cell-based format
CHEMBL4594120 OBDepict N N N N H O N N CH 3 CH 3 H IC50 = 5.3 nM 268.28 CC(C)c1c(-c2cn[nH]c2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4548921 OBDepict N N N N H O N N CH 3 H 3 C IC50 = 5.6 nM 344.38 CC(C)c1c(-c2cnn(-c3ccccc3)c2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4226978 OBDepict Br O N N N O OH IC50 = 6.0 nM 374.19 O=C(O)c1ccnc(-n2nccc2OCc2ccc(Br)cc2)c1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4518175 OBDepict N N N N H O O CH 3 CH 3 IC50 = 6.2 nM 268.28 CC(C)c1c(-c2ccco2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4469253 OBDepict N N N N H O N N CH 3 CH 3 IC50 = 7.9 nM 308.35 CC(C)c1c(-c2cnn(C3CC3)c2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4435805 OBDepict N N N N H O IC50 = 9.2 nM 290.33 N#Cc1cnn2c(=O)c(C3CCC3)c(-c3ccccc3)[nH]c12 Homo sapiens CHEMBL4427147 single protein format
CHEMBL4468119 OBDepict N N N N H CH 3 O CH 3 CH 3 IC50 = 9.3 nM 216.24 Cc1[nH]c2c(C#N)cnn2c(=O)c1C(C)C Homo sapiens CHEMBL4427147 single protein format
CHEMBL4525674 OBDepict CH 3 N H CH 3 CH 3 O N N N IC50 = 9.5 nM 230.27 CCc1[nH]c2c(C#N)cnn2c(=O)c1C(C)C Homo sapiens CHEMBL4427147 single protein format
CHEMBL4468139 OBDepict N N N N H O N N CH 3 CH 3 IC50 = 10.0 nM 280.29 CC(C)c1c(-c2cncnc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4444473 OBDepict N N N N H N CH 3 CH 3 O N N IC50 = 10.1 nM 321.34 CC(C)c1c(-c2cnn(CCC#N)c2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4464271 OBDepict H 3 C O N N N H CH 3 CH 3 O N N N IC50 = 10.4 nM 326.36 COCCn1cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cn1 Homo sapiens CHEMBL4427147 single protein format
CHEMBL4538785 OBDepict CH 3 N O N H N N H O N IC50 = 11.0 nM 281.28 CCc1c(-c2ccc(=O)[nH]c2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427931 single protein format
CHEMBL4587659 OBDepict N N N N H O N N CH 3 H 3 C H 3 C IC50 = 11.1 nM 296.33 CCn1cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cn1 Homo sapiens CHEMBL4427147 single protein format
CHEMBL4542354 OBDepict N N N N H O N N CH 3 H 3 C IC50 = 11.2 nM 322.37 CC(C)c1c(-c2cnn(C3CCC3)c2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4567032 OBDepict N N N N H O H 3 C CH 3 IC50 = 11.9 nM 292.34 CC(C)c1c(Cc2ccccc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4228292 OBDepict CH 3 O Cl O N N N O OH IC50 = 12.0 nM 359.77 COc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4537301 OBDepict N N N N H O N CH 3 CH 3 IC50 = 12.3 nM 279.3 CC(C)c1c(-c2cccnc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4516977 OBDepict CH CH 3 N O N H N N IC50 = 12.8 nM 288.31 C#CC(C)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4444632 OBDepict CH 3 N O N H N N N IC50 = 13.0 nM 265.28 CCc1c(-c2cccnc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427931 single protein format
CHEMBL3786952 OBDepict Cl CH 3 O N N N O OH IC50 = 13.0 nM 343.77 Cc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4444121 OBDepict N N N N H O H 3 C CH 3 IC50 = 13.1 nM 306.37 CC(C)c1c(CCc2ccccc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4539736 OBDepict N N N N H O N N CH 3 CH 3 CH 3 IC50 = 13.3 nM 282.31 CC(C)c1c(-c2cnn(C)c2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4458334 OBDepict N N N N H O N N CH 3 CH 3 CH 3 CH 3 IC50 = 13.8 nM 310.36 CC(C)c1c(-c2cnn(C(C)C)c2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4447703 OBDepict N N N N H O CH 3 H 3 C F F F IC50 = 13.9 nM 346.31 CC(C)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL3785583 OBDepict N N N N H O N N CH 3 CH 3 CH 3 CH 3 CH 3 IC50 = 14.0 nM 324.39 CC(C)c1c(-c2cnn(C(C)(C)C)c2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL3789200 cell-based format
CHEMBL4464860 OBDepict CH 3 N O N H N N IC50 = 15.0 nM 264.29 CCc1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427931 single protein format
CHEMBL3785443 OBDepict N N N N H O N N CH 3 CH 3 CH 3 CH 3 IC50 = 15.0 nM 324.39 CC(C)Cn1cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cn1 Homo sapiens CHEMBL3789200 cell-based format
CHEMBL4577929 OBDepict H 2 C CH 3 N O N H N N IC50 = 15.5 nM 290.33 C=CC(C)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4450386 OBDepict N N N N H O N N CH 3 H 3 C O IC50 = 15.9 nM 324.34 CC(C)c1c(-c2cnn(C3COC3)c2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4457381 OBDepict N N N N H O H 3 C CH 3 IC50 = 17.5 nM 304.35 CC(C)c1c(/C=C/c2ccccc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4470689 OBDepict H 3 C CH 3 N O N H N N IC50 = 18.0 nM 292.34 CCC(C)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4228546 OBDepict Cl F O N N N O OH IC50 = 18.0 nM 347.73 O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2F)c1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4434847 OBDepict N N N N H O O H 3 C CH 3 IC50 = 18.0 nM 294.31 CC(C)c1c(Oc2ccccc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4564949 OBDepict N N N N H O CH 3 H 3 C F F F IC50 = 18.2 nM 346.31 CC(C)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4229264 OBDepict H 3 C O Cl O N N N O OH IC50 = 19.0 nM 373.8 CCOc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4468103 OBDepict CH 3 CH 3 N O N H N N IC50 = 20.0 nM 202.22 CCc1c(C)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427931 single protein format
CHEMBL4551293 OBDepict CH 2 N O N H N N IC50 = 20.1 nM 262.27 C=Cc1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4546025 OBDepict N N N N H O CH 3 CH 3 CH 3 IC50 = 20.3 nM 292.34 Cc1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1 Homo sapiens CHEMBL4427147 single protein format
CHEMBL4518024 OBDepict N N N N H O CH 3 H 3 C Cl IC50 = 20.4 nM 312.76 CC(C)c1c(-c2ccc(Cl)cc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4462289 OBDepict CH N O N H N N IC50 = 21.1 nM 274.28 C#CCc1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4536443 OBDepict CH 3 N CH 3 N H CH 3 CH 3 O N N N IC50 = 22.7 nM 405.55 CCCCCCN(C)Cc1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1 Homo sapiens CHEMBL4424782 cell-based format
CHEMBL4457963 OBDepict CH 3 N H CH 3 CH 3 O N N N IC50 = 24.0 nM 242.28 C/C=C/c1[nH]c2c(C#N)cnn2c(=O)c1C(C)C Homo sapiens CHEMBL4427147 single protein format
CHEMBL4540055 OBDepict N N N N H O CH 2 CH 3 IC50 = 24.7 nM 276.3 C=C(C)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4782583 OBDepict CH 3 O N N N H O N H 3 C H 3 C O IC50 = 24.9 nM 434.54 COc1ccc(-n2cc(C(=O)NCC(C)(C)N3CCOCC3)c(-c3ccccc3)n2)cc1 Homo sapiens CHEMBL4685884 single protein format
CHEMBL4560583 OBDepict N OH O N H N IC50 = 25.0 nM 187.16 N#Cc1c(O)c2ccncc2[nH]c1=O Homo sapiens CHEMBL4432252 single protein format
CHEMBL4544982 OBDepict N N N N H N H O H 3 C CH 3 IC50 = 27.5 nM 293.33 CC(C)c1c(Nc2ccccc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4449759 OBDepict N N N N H O CH 3 CH 3 IC50 = 28.3 nM 202.22 CC(C)c1c[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4570968 OBDepict N N N N H O CH 3 H 3 C O F F F IC50 = 28.9 nM 362.31 CC(C)c1c(-c2cccc(OC(F)(F)F)c2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4225915 OBDepict H 3 C N O N N O OH F IC50 = 29.0 nM 341.34 CCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4474549 OBDepict HO CH 3 N O N H N N IC50 = 29.0 nM 294.31 CC(CO)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4589575 OBDepict N N N N H O Br IC50 = 29.3 nM 315.13 N#Cc1cnn2c(=O)c(Br)c(-c3ccccc3)[nH]c12 Homo sapiens CHEMBL4427147 single protein format
CHEMBL4548987 OBDepict H 3 C O N N H CH 3 CH 3 O N N N IC50 = 31.6 nM 309.33 COc1cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)ccn1 Homo sapiens CHEMBL4427147 single protein format
CHEMBL4227526 OBDepict Cl O O N N N O HO IC50 = 32.0 nM 435.87 O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2OCc2ccccc2)c1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4228087 OBDepict CH 3 O N N N O OH IC50 = 32.0 nM 309.32 Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4442998 OBDepict N N N N H O CH 3 H 3 C O F F F IC50 = 35.9 nM 362.31 CC(C)c1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4225013 OBDepict F O N N N O OH IC50 = 38.0 nM 313.29 O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)cc2)c1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4227237 OBDepict CH 3 O N N N O HO IC50 = 44.0 nM 323.35 CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4441819 OBDepict CH 3 N H O OH O N H N IC50 = 50.0 nM 233.23 CCNC(=O)c1c(O)c2ccncc2[nH]c1=O Homo sapiens CHEMBL4432252 single protein format
CHEMBL4557175 OBDepict H N CH 3 N N O N CH 3 IC50 = 55.0 nM 216.24 CCCc1c(C)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427931 single protein format
CHEMBL4534149 OBDepict N N N N H N O CH 3 CH 3 IC50 = 63.2 nM 285.35 CC(C)c1c(N2CCCCC2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4060968 OBDepict O N H N O N N H CH 3 CH 3 IC50 = 65.0 nM 290.37 CC(C)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)n[nH]1 Homo sapiens CHEMBL4035836 cell-based format
CHEMBL4436444 OBDepict CH 3 N H 3 C N H CH 3 CH 3 O N N N IC50 = 65.3 nM 405.55 CCCCCCN(C)Cc1cccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)c1 Homo sapiens CHEMBL4424782 cell-based format
CHEMBL4471064 OBDepict CH 3 N H O OH O N H N IC50 = 70.0 nM 219.2 CNC(=O)c1c(O)c2ccncc2[nH]c1=O Homo sapiens CHEMBL4432252 single protein format
CHEMBL4225515 OBDepict Cl O O N N N O HO IC50 = 75.0 nM 399.83 O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2OCC2CC2)c1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4451492 OBDepict N N N N H N O H 3 C CH 3 CH 3 H 3 C IC50 = 76.6 nM 245.29 CC(C)c1c(N(C)C)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427147 single protein format
CHEMBL4225810 OBDepict F O N CH 3 N N O OH IC50 = 77.0 nM 327.31 Cc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL3590426 OBDepict H 3 C N H 3 C N O OH O OH IC50 = 79.0 nM 288.39 CCCCCN(C)CCCCC(=O)N(O)CCC(=O)O Homo sapiens CHEMBL4393226 cell-based format
CHEMBL3786579 OBDepict OH N O N N O HO F IC50 = 80.0 nM 357.34 O=C(O)c1ccnc(-n2ncc(CCO)c2OCc2ccc(F)cc2)c1 Homo sapiens CHEMBL4223290 single protein format
CHEMBL4059597 OBDepict O NH N O N N H CH 3 CH 3 IC50 = 80.0 nM 304.39 CC(C)c1cc(C(=O)N2CCC(NC(=O)C3CCC3)C2)n[nH]1 Homo sapiens CHEMBL4035836 cell-based format
CHEMBL4071387 OBDepict O N N H N N H CH 3 H 3 C O IC50 = 99.0 nM 326.4 CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3)C2)[nH]n1 Homo sapiens CHEMBL4035836 cell-based format
CHEMBL4284429 OBDepict OH O N N N O Cl F IC50 <= 100.0 nM 347.73 O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)c(Cl)c2)c1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4280347 OBDepict OH O N N N O F Cl IC50 <= 100.0 nM 347.73 O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(F)c2)c1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4289938 OBDepict HO O N N N O HO IC50 <= 100.0 nM 311.3 O=C(O)c1ccnc(-n2nccc2OCc2cccc(O)c2)c1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4288895 OBDepict Br O N N N O HO IC50 <= 100.0 nM 374.19 O=C(O)c1ccnc(-n2nccc2OCc2cccc(Br)c2)c1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4282732 OBDepict OH O N N N O F F IC50 <= 100.0 nM 337.33 O=C(O)c1ccnc(-n2nccc2OCC2CCC(F)(F)CC2)c1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4280354 OBDepict OH O N N N O N IC50 <= 100.0 nM 296.29 O=C(O)c1ccnc(-n2nccc2OCc2ccncc2)c1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4279283 OBDepict OH O N N N O N IC50 <= 100.0 nM 296.29 O=C(O)c1ccnc(-n2nccc2OCc2cccnc2)c1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4283150 OBDepict CH 3 Cl O N N N O HO IC50 <= 100.0 nM 357.8 CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1Cl Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4283131 OBDepict Cl O N N N O HO IC50 <= 100.0 nM 329.74 O=C(O)c1ccnc(-n2nccc2OCc2cccc(Cl)c2)c1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4289609 OBDepict CH 3 N N O N N N O HO IC50 <= 100.0 nM 349.35 Cn1cc2cc(COc3ccnn3-c3cc(C(=O)O)ccn3)ccc2n1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4290631 OBDepict OH O N N N O N CH 3 N IC50 <= 100.0 nM 349.35 Cn1ncc2ccc(COc3ccnn3-c3cc(C(=O)O)ccn3)cc21 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4286858 OBDepict CH 3 N N NH 2 N O OH IC50 <= 100.0 nM 294.31 Cc1ccc(-c2cc(N)nn2-c2cc(C(=O)O)ccn2)cc1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4285149 OBDepict OH O N N N O Cl Cl IC50 <= 100.0 nM 364.19 O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(Cl)c2)c1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4228610 OBDepict CH 3 O O N N N O HO IC50 <= 100.0 nM 325.32 COc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4287466 OBDepict CH 3 O O N N N O OH IC50 <= 100.0 nM 325.32 COc1cccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4284664 OBDepict Cl Cl O N N N O OH IC50 <= 100.0 nM 364.19 O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2Cl)c1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4277625 OBDepict OH O N N N O Cl F F F IC50 <= 100.0 nM 397.74 O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)c(C(F)(F)F)c2)c1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4287180 OBDepict HO O N N N O F H 3 C IC50 <= 100.0 nM 327.32 Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4289229 OBDepict OH O N N N O F F IC50 <= 100.0 nM 331.28 O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)c(F)c2)c1 Homo sapiens CHEMBL4256949 cell-based format
CHEMBL4278863 OBDepict HO O N N Br N CH 3 IC50 <= 100.0 nM 282.1 Cn1cnc(-c2cc(C(=O)O)ccn2)c1Br Homo sapiens CHEMBL4257282 cell-based format
CHEMBL4284112 OBDepict CH N CH 3 N N O OH IC50 <= 100.0 nM 303.32 C#Cc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1 Homo sapiens CHEMBL4257282 cell-based format
CHEMBL4288406 OBDepict CH 3 N CH 3 N N O OH IC50 <= 100.0 nM 293.33 Cc1ccc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)cc1 Homo sapiens CHEMBL4257282 cell-based 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 CHEMBL4257282 cell-based 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 CHEMBL4257282 cell-based 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 CHEMBL4257282 cell-based format
CHEMBL4285118 OBDepict OH O N N N N Cl Cl IC50 <= 100.0 nM 431.32 O=C(O)c1ccnc(-c2cn(CCN(Cc3ccc(Cl)c(Cl)c3)C3CC3)cn2)c1 Homo sapiens CHEMBL4257282 cell-based format