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Q9NR96 | TLR9_HUMAN | Toll-like receptor 9 (TLR9)

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
CHEMBL3356618 OBDepict H 3 C N N N N CH 3 N N IC50 = 3.5 nM 420.61 Cc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCCN1CCCC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL3357062 OBDepict CH 3 N N N N N N IC50 = 3.9 nM 406.58 CN1CCN(c2ccc(-c3ncc4c(n3)N(CCCN3CCCC3)CC4)cc2)CC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL2144205 OBDepict CH 3 O O N CH 3 N HN N N O N CH 3 IC50 = 4.6 nM 492.62 COc1cc2nc(-c3ccc(N4CCN(C)CC4)cc3)nc(NCCN3CCOCC3)c2cc1OC Homo sapiens CHEMBL3383964 cell-based format
CHEMBL3357064 OBDepict CH 3 N N N N N N O IC50 = 8.6 nM 422.58 CN1CCN(c2ccc(-c3ncc4c(n3)N(CCCN3CCOCC3)CC4)cc2)CC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL3356617 OBDepict H 3 C N N N N CH 3 N N IC50 = 11.0 nM 406.58 Cc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCN1CCCC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL3357065 OBDepict CH 3 N N N N N N O IC50 = 11.0 nM 436.6 CN1CCN(c2ccc(-c3ncc4c(n3)N(CCCCN3CCOCC3)CC4)cc2)CC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL3357070 OBDepict OH N N N N N N O IC50 = 13.0 nM 452.6 OCCN1CCN(c2ccc(-c3ncc4c(n3)N(CCCN3CCOCC3)CC4)cc2)CC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL4065452 OBDepict N O O N O N IC50 = 15.0 nM 449.6 c1cc(-c2nc3ccc(OCCCN4CCCC4)cc3o2)ccc1OCCCN1CCCC1 Homo sapiens CHEMBL4035077 cell-based format
CHEMBL3356616 OBDepict H 3 C N N N N N CH 3 N O IC50 = 16.0 nM 436.6 Cc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCCN1CCOCC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL4276673 OBDepict H 3 C O O N N N N N CH 3 H 3 C N IC50 = 20.0 nM 482.67 COc1cc2c(N3CCN(C4CCCC4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL3356615 OBDepict CH 3 N N N N CH 3 N N O IC50 = 20.0 nM 422.58 Cc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCN1CCOCC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL4282131 OBDepict CH 3 O O N N N N N N N H 3 C IC50 = 20.0 nM 537.75 COc1cc2c(N3CCN(C4CCCC4)CC3)nc(N3CCN(C)CC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4279467 OBDepict H 3 C O O N N N N N CH 3 H 3 C HN IC50 = 20.0 nM 414.55 COc1cc2c(N3CCNCC3)nc(N(C)C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4278635 OBDepict H 3 C O O N N N N N CH 3 H 3 C N O IC50 = 20.0 nM 518.66 COc1cc2c(N3CCN(C(=O)c4ccccc4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL3905103 OBDepict O N N H N HN N N HN N N N O O IC50 = 25.0 nM 592.75 c1ccc(-c2nc(NCCN3CCOCC3)c3nc(NCCN4CCOCC4)c(NCCN4CCOCC4)nc3n2)cc1 Homo sapiens CHEMBL3888592 assay format
CHEMBL3356611 OBDepict CH 3 N N N N HN N O IC50 = 27.0 nM 436.6 CN1CCN(c2ccc(-c3nc4c(c(NCCN5CCOCC5)n3)CCCC4)cc2)CC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL3357069 OBDepict CH 3 O N N N N N N O IC50 = 28.0 nM 466.63 COCCN1CCN(c2ccc(-c3ncc4c(n3)N(CCCN3CCOCC3)CC4)cc2)CC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL4286933 OBDepict H 3 C O O N N N NH N N H 3 C N N H 3 C IC50 = 30.0 nM 540.76 COc1cc2c(N3CCN(C)CC3)nc(NCCCN3CCN(C)CC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4278682 OBDepict CH 3 O O N N N N H N N N N H 3 C IC50 = 30.0 nM 594.85 COc1cc2c(N3CCN(C4CCCC4)CC3)nc(NCCCN3CCN(C)CC3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4290314 OBDepict H 2 N N O N N N N H 3 C CH 3 O H 3 C O N IC50 = 30.0 nM 547.7 COc1cc2c(N3CCN(C(=O)c4ccc(CN)cc4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4279648 OBDepict H 3 C O O N N N N N CH 3 H 3 C N O F IC50 = 30.0 nM 536.65 COc1cc2c(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4281194 OBDepict CH 3 O O N N N N N CH 3 H 3 C N IC50 = 30.0 nM 496.7 COc1cc2c(N3CCN(CC4CCCC4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL3356614 OBDepict H 3 C N N N N CH 3 NH CH 3 N O IC50 = 35.0 nM 410.57 Cc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc(NCCN2CCOCC2)c1C Homo sapiens CHEMBL3383964 cell-based format
CHEMBL4082132 OBDepict CH 3 N HN N O O N IC50 = 37.0 nM 434.58 CN1CCC(Nc2cccc(-c3nc4ccc(OCCCN5CCCC5)cc4o3)c2)CC1 Homo sapiens CHEMBL4035077 cell-based format
CHEMBL4865326 OBDepict CH 3 N CH 3 CH 3 N H N H IC50 = 40.0 nM 369.51 Cc1cc(-c2cc(C)c3c(c2)[nH]c2ccc(C4CCNCC4)cc23)cc(C)n1 Homo sapiens CHEMBL4828016 cell-based format
CHEMBL4284496 OBDepict H 3 C O O N N N N H N N F IC50 = 40.0 nM 562.73 COc1cc2c(N3CCN(C4CCCC4)CC3)nc(NCc3ccc(F)cc3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4284607 OBDepict CH 3 O O N N N N N H 3 C CH 3 N CH 3 IC50 = 40.0 nM 428.58 COc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4747784 OBDepict N N N H N H CH 3 N N N H F H H 2 N IC50 = 47.0 nM 514.65 C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]2CN(CCc3ccc(N4C[C@H](F)[C@H](N)C4)nc3)CCN21 Homo sapiens CHEMBL4679471 cell-based format
CHEMBL4100657 OBDepict CH 3 N CH 3 HN O N O O N IC50 = 48.0 nM 498.63 CN(C)Cc1ccc(C(=O)Nc2cccc(-c3nc4ccc(OCCCN5CCCC5)cc4o3)c2)cc1 Homo sapiens CHEMBL4035077 cell-based format
CHEMBL4280997 OBDepict H 3 C O O N N N N CH 3 H 3 C N H 3 C IC50 = 50.0 nM 385.51 COc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1OC1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4285558 OBDepict CH 3 O O N N N N H N N N N IC50 = 50.0 nM 562.76 COc1cc2c(N3CCN(C4CCCC4)CC3)nc(NCCCn3ccnc3)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4745246 OBDepict N N N H N H H 3 C N N N H IC50 = 50.0 nM 439.57 C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H]2CN(c3cncc4c3CCNC4)CCN21 Homo sapiens CHEMBL4679471 cell-based format
CHEMBL4799678 OBDepict N N N H N H H 3 C N N N H IC50 = 50.0 nM 439.57 C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]2CN(c3cncc4c3CCNC4)CCN12 Homo sapiens CHEMBL4679471 cell-based format
CHEMBL4856345 OBDepict CH 3 N CH 3 N H N H IC50 = 53.0 nM 355.49 Cc1cc(-c2ccc3c(c2)[nH]c2ccc(C4CCNCC4)cc23)cc(C)n1 Homo sapiens CHEMBL4828016 cell-based format
CHEMBL4849957 OBDepict N N N D H H 3 C N H N N H H N H IC50 = 53.4 nM 438.56 [2H]c1ccc2c(N3C[C@@H]4c5ccc(N6C[C@H]7C[C@@H]6CN7)nc5CN4[C@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4836654 cell-based format
CHEMBL4760220 OBDepict N N N H H 3 C N H N N H IC50 = 54.0 nM 438.58 C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]2CN(c3cccc4c3CCNC4)CCN21 Homo sapiens CHEMBL4679471 cell-based format
CHEMBL3357067 OBDepict H 3 C N N N N N N O IC50 = 56.0 nM 422.58 CN1CCN(c2ccccc2-c2ncc3c(n2)N(CCCN2CCOCC2)CC3)CC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL3357066 OBDepict CH 3 N N N N N N O IC50 = 56.0 nM 422.58 CN1CCN(c2cccc(-c3ncc4c(n3)N(CCCN3CCOCC3)CC4)c2)CC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL4863896 OBDepict N N N N H N N CH 3 NH 2 IC50 = 56.6 nM 439.57 CC1(N)CCN(c2ccc3c(n2)CN2CCN(c4ccc(C#N)c5ncccc45)C[C@@H]32)CC1 Homo sapiens CHEMBL4836654 cell-based format
CHEMBL4854009 OBDepict CH 3 N CH 3 CH 3 N H N OH H 3 C H 3 C IC50 = 60.0 nM 441.62 Cc1cc(-c2cc(C)c3c(c2)[nH]c2ccc(C4CCN(CC(C)(C)O)CC4)cc23)cc(C)n1 Homo sapiens CHEMBL4828016 cell-based format
CHEMBL4071152 OBDepict NH 2 N O N O O N H 2 N IC50 = 60.0 nM 479.63 NC1CCN(CCCOc2ccc(-c3nc4ccc(OCCCN5CCC(N)C5)cc4o3)cc2)C1 Homo sapiens CHEMBL4035077 cell-based format
CHEMBL3940333 OBDepict CH 3 N N N Cl N N N N H N O IC50 = 62.0 nM 468.99 CN1CCN(c2nc3nc(-c4ccccc4)nc(NCCN4CCOCC4)c3nc2Cl)CC1 Homo sapiens CHEMBL3888592 assay format
CHEMBL4795549 OBDepict N N N D N H H 3 C N N CH 3 N O H H 2 N IC50 = 70.0 nM 513.67 [2H]c1ccc2c(N3CC4CN(c5ncc(N6CCOC[C@H](N)C6)cc5C)CCN4[C@@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4679471 cell-based format
CHEMBL3916482 OBDepict CH 3 N N N N N H N N H N O IC50 = 72.0 nM 422.54 CN1CCN(c2ccc(-c3nc(NCCN4CCOCC4)c4nc[nH]c4n3)cc2)CC1 Homo sapiens CHEMBL3888515 assay format
CHEMBL3357063 OBDepict CH 3 N N N N N N O IC50 = 73.0 nM 408.55 CN1CCN(c2ccc(-c3ncc4c(n3)N(CCN3CCOCC3)CC4)cc2)CC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL3357061 OBDepict CH 3 N N N N N N H 3 C CH 3 N IC50 = 73.0 nM 449.65 CN1CCN(c2ccc(-c3nc(N(C)C)c4c(n3)N(CCCN3CCCC3)CC4)cc2)CC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL4291815 OBDepict H 3 C O O N N N N N CH 3 H 3 C N IC50 = 80.0 nM 504.68 COc1cc2c(N3CCN(Cc4ccccc4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4755291 OBDepict N N N D H N H CH 3 N N CH 3 N H 2 N IC50 = 81.0 nM 509.68 [2H]c1ccc2c(N3C[C@@H](C)N4CCN(c5ncc(N6CC7(CC(N)C7)C6)cc5C)C[C@H]4C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4679471 cell-based format
CHEMBL3356619 OBDepict CH 3 N N N N Cl N N IC50 = 84.0 nM 441.02 CN1CCN(c2ccc(-c3nc(Cl)c4c(n3)N(CCCN3CCCC3)CC4)cc2)CC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL4849186 OBDepict CH 3 O N N N H 3 C N CH 3 H NH IC50 = 95.0 nM 425.54 COc1cc(-c2cc3[nH]c4ccc(C5CCNCC5)cc4c3c(C)c2C)cn2ncnc12 Homo sapiens CHEMBL4828016 cell-based format
CHEMBL4100834 OBDepict N O N O O N IC50 = 98.0 nM 477.65 c1cc(-c2nc3ccc(OCCCN4CCCCC4)cc3o2)ccc1OCCCN1CCCCC1 Homo sapiens CHEMBL4035077 cell-based format
CHEMBL4073879 OBDepict NH N O O N IC50 = 99.0 nM 403.53 C1=C(c2cccc(-c3nc4ccc(OCCCN5CCCC5)cc4o3)c2)CCNC1 Homo sapiens CHEMBL4035077 cell-based format
CHEMBL4287813 OBDepict H 3 C O O N N N N CH 3 H 3 C HN IC50 = 100.0 nM 371.49 COc1cc2c(N3CCNCC3)nc(N(C)C)nc2cc1OC1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4850085 OBDepict N N N D H CH 3 N H N N N H IC50 = 105.7 nM 452.58 [2H]c1ccc2c(N3C[C@@H]4c5ccc(N6CCC7(CNC7)C6)nc5CN4[C@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4836654 cell-based format
CHEMBL4872385 OBDepict CH 3 O N N N H 3 C N H NH IC50 = 108.0 nM 411.51 COc1cc(-c2cc3[nH]c4ccc(C5CCNCC5)cc4c3cc2C)cn2ncnc12 Homo sapiens CHEMBL4828016 cell-based format
CHEMBL1535 OBDepict HO N CH 3 NH H 3 C N Cl IC50 = 110.0 nM 335.88 CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4283550 OBDepict H 3 C O O N N N N N CH 3 H 3 C N O CH 3 H 3 C IC50 = 110.0 nM 484.65 COc1cc2c(N3CCN(C(=O)C(C)C)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL3947395 OBDepict CH 3 N H 3 C N H 3 C N N N N N N CH 3 IC50 = 112.0 nM 406.54 CN(C)CCN(C)c1nc(-c2ccccc2)nc2nc(N3CCN(C)CC3)cnc12 Homo sapiens CHEMBL3888592 assay format
CHEMBL3949117 OBDepict CH 3 N N NH N N N N N N H 3 C IC50 = 113.0 nM 447.59 CN1CCN(CCNc2nc(-c3ccccc3)nc3nc(N4CCN(C)CC4)cnc23)CC1 Homo sapiens CHEMBL3888592 assay format
CHEMBL4870936 OBDepict N N N D H CH 3 N H N O HN IC50 = 118.0 nM 441.56 [2H]c1ccc2c(N3C[C@@H]4c5ccc(OC6CCNCC6)nc5CN4[C@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4836654 cell-based format
CHEMBL3357060 OBDepict CH 3 O N N N N N N H 3 C IC50 = 120.0 nM 436.6 COc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCCN1CCCC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL3356613 OBDepict H 3 C N N N N NH CH 3 N O IC50 = 120.0 nM 396.54 Cc1cnc(-c2ccc(N3CCN(C)CC3)cc2)nc1NCCN1CCOCC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL4878670 OBDepict N N N D H H 3 C N H N N H H N H IC50 = 120.9 nM 438.56 [2H]c1ccc2c(N3C[C@@H]4c5ccc(N6C[C@@H]7C[C@H]6CN7)nc5CN4[C@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4836654 cell-based format
CHEMBL3966000 OBDepict H 3 C N N HN N N N N O N N CH 3 IC50 = 124.0 nM 567.74 CN1CCN(CCNc2nc(-c3ccccc3)nc3c2nc(-c2ccccc2)c(=O)n3CCN2CCN(C)CC2)CC1 Homo sapiens CHEMBL3888592 assay format
CHEMBL4100138 OBDepict N N H N O O N IC50 = 130.0 nM 510.68 c1ccc(CN2CCC(Nc3cccc(-c4nc5ccc(OCCCN6CCCC6)cc5o4)c3)CC2)cc1 Homo sapiens CHEMBL4035077 cell-based format
CHEMBL4290193 OBDepict H 3 C O O N N N N CH 3 H 3 C HN IC50 = 130.0 nM 393.49 COc1cc2c(N3CCNCC3)nc(N(C)C)nc2cc1OCc1ccccc1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4067391 OBDepict HN N O O N IC50 = 133.0 nM 405.54 c1cc(-c2nc3ccc(OCCCN4CCCC4)cc3o2)cc(C2CCNCC2)c1 Homo sapiens CHEMBL4035077 cell-based format
CHEMBL3942097 OBDepict O N N N N N H N O N O IC50 = 137.0 nM 541.66 O=c1c(-c2ccccc2)nc2c(NCCN3CCOCC3)nc(-c3ccccc3)nc2n1CCN1CCOCC1 Homo sapiens CHEMBL3888592 assay format
CHEMBL4850118 OBDepict N N N D H CH 3 N H N N H 3 C H 2 N IC50 = 138.9 nM 440.57 [2H]c1ccc2c(N3C[C@@H]4c5ccc(N6CC[C@](C)(N)C6)nc5CN4[C@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4836654 cell-based format
CHEMBL3903834 OBDepict CH 3 N N N N N H N N H N O IC50 = 142.0 nM 436.56 CCN1CCN(c2ccc(-c3nc(NCCN4CCOCC4)c4nc[nH]c4n3)cc2)CC1 Homo sapiens CHEMBL3888515 assay format
CHEMBL4846672 OBDepict H 3 C O N N N CH 3 N H N H IC50 = 153.0 nM 411.51 COc1cc(-c2cc(C)c3c(c2)[nH]c2ccc(C4CCNCC4)cc23)cn2ncnc12 Homo sapiens CHEMBL4828016 cell-based format
CHEMBL3954847 OBDepict O N N H N N N NH N N N O IC50 = 181.0 nM 533.68 c1ccc(-c2nc(NCCN3CCOCC3)c3nc(NCCN4CCOCC4)c(N4CCCC4)nc3n2)cc1 Homo sapiens CHEMBL3888592 assay format
CHEMBL4649357 OBDepict H 3 C O O H 3 C N H H 3 C N N N H H 3 C IC50 = 190.0 nM 444.58 COc1ccc(-c2[nH]c3ccc(C4CCN(Cc5cnc(C)[nH]5)CC4)cc3c2C)cc1OC Homo sapiens CHEMBL4622742 cell-based format
CHEMBL3356610 OBDepict CH 3 N N N N HN O N O IC50 = 190.0 nM 438.58 CN1CCN(c2ccc(-c3nc4c(c(NCCN5CCOCC5)n3)COCC4)cc2)CC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL3356612 OBDepict CH 3 N N N N HN N O IC50 = 190.0 nM 382.51 CN1CCN(c2ccc(-c3nccc(NCCN4CCOCC4)n3)cc2)CC1 Homo sapiens CHEMBL3383964 cell-based format
CHEMBL3956106 OBDepict CH 3 N N N N N N H N N H N N NH 2 N H 2 N IC50 = 198.0 nM 487.58 CN1CCN(c2cnc3c(NCCCNc4nc(N)nc(N)n4)nc(-c4ccccc4)nc3n2)CC1 Homo sapiens CHEMBL3888592 assay format
CHEMBL4290016 OBDepict CH 3 O O N N N N N IC50 = 200.0 nM 439.6 COc1cc2c(N3CCN(C4CCCC4)CC3)ncnc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4643502 OBDepict CH 3 N N N CH 3 H 3 C O NH IC50 = 200.0 nM 336.44 Cc1cc(-c2cc(C)c3nn(C4CCNCC4)cc3c2)cn(C)c1=O Homo sapiens CHEMBL4622226 cell-based format
CHEMBL4639038 OBDepict CH 3 O O CH 3 N H CH 3 N N H 3 C IC50 = 216.0 nM 447.62 COc1ccc(-c2[nH]c3ccc(C4CCN(C5CCN(C)CC5)CC4)cc3c2C)cc1OC Homo sapiens CHEMBL4622742 cell-based format
CHEMBL4287984 OBDepict H 3 C O O N N N N N CH 3 H 3 C N S O O CH 3 H 3 C IC50 = 240.0 nM 520.7 COc1cc2c(N3CCN(S(=O)(=O)C(C)C)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4634741 OBDepict CH 3 NH N N H N O O H 3 C H 3 C IC50 = 260.0 nM 418.54 CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C#N)c3c2)CC1 Homo sapiens CHEMBL4622742 cell-based format
CHEMBL4284406 OBDepict CH 3 O O N N N N H 3 C CH 3 N CH 3 IC50 = 260.0 nM 407.52 COc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1OCc1ccccc1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4634302 OBDepict CH 3 NH N N H 3 C H O H 2 N IC50 = 270.0 nM 390.53 CNCCN1CCC(c2ccc3[nH]c(-c4ccc(C(N)=O)cc4)c(C)c3c2)CC1 Homo sapiens CHEMBL4622742 cell-based format
CHEMBL3930901 OBDepict CH 3 N N NH N N N N HO N O IC50 = 271.0 nM 466.59 CN1CCN(CCNc2nc(-c3ccccc3)nc3c2nc(O)n3CCN2CCOCC2)CC1 Homo sapiens CHEMBL3888515 assay format
CHEMBL3945861 OBDepict CH 3 N N N N HN N N N O IC50 = 285.0 nM 434.55 CN1CCN(c2ccc(-c3nc(NCCN4CCOCC4)c4nccnc4n3)cc2)CC1 Homo sapiens CHEMBL3888592 assay format
CHEMBL4088644 OBDepict HN NH N O O N IC50 = 308.0 nM 420.56 c1cc(NC2CCNCC2)cc(-c2nc3ccc(OCCCN4CCCC4)cc3o2)c1 Homo sapiens CHEMBL4035077 cell-based format
CHEMBL3912337 OBDepict H 3 C N N N HN N N N NH N N O O IC50 = 317.0 nM 562.72 CN1CCN(c2nc3nc(-c4ccccc4)nc(NCCN4CCOCC4)c3nc2NCCN2CCOCC2)CC1 Homo sapiens CHEMBL3888592 assay format
CHEMBL4636498 OBDepict CH 3 NH N N H CH 3 H 3 C O O H 3 C H 3 C IC50 = 320.0 nM 435.61 CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C(C)C)c3c2)CC1 Homo sapiens CHEMBL4622753 cell-based format
CHEMBL4639137 OBDepict CH 3 NH N N Cl H O O H 3 C H 3 C IC50 = 430.0 nM 427.98 CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(Cl)c3c2)CC1 Homo sapiens CHEMBL4622742 cell-based format
CHEMBL4647818 OBDepict CH 3 NH N N H 3 C H O O H 3 C H 3 C IC50 = 430.0 nM 407.56 CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C)c3c2)CC1 Homo sapiens CHEMBL4622742 cell-based format
CHEMBL4648656 OBDepict CH 3 NH N N H 3 C H N IC50 = 460.0 nM 372.52 CNCCN1CCC(c2ccc3[nH]c(-c4cccc(C#N)c4)c(C)c3c2)CC1 Homo sapiens CHEMBL4622742 cell-based format
CHEMBL3898735 OBDepict N N O N N H N N N N O O IC50 = 487.0 nM 566.67 N#Cc1ccc(-c2nc3c(NCCN4CCOCC4)nc(-c4ccccc4)nc3n(CCN3CCOCC3)c2=O)cc1 Homo sapiens CHEMBL3888592 assay format
CHEMBL4637254 OBDepict H 3 C N H N N H CH 3 O O CH 3 CH 3 IC50 = 490.0 nM 421.59 CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C3CCN(CCNC)CC3)cc12 Homo sapiens CHEMBL4622742 cell-based format
CHEMBL3963394 OBDepict CH 3 N N N OH N N N HN N O IC50 = 497.0 nM 466.59 CN1CCN(CCn2c(O)nc3c(NCCN4CCOCC4)nc(-c4ccccc4)nc32)CC1 Homo sapiens CHEMBL3888515 assay format
CHEMBL4645620 OBDepict CH 3 NH N N H 3 C H O H 3 C IC50 = 500.0 nM 377.53 CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)cc4)c(C)c3c2)CC1 Homo sapiens CHEMBL4622742 cell-based format
CHEMBL4291391 OBDepict CH 3 O O N N N N N CH 3 H 3 C N O IC50 = 500.0 nM 510.68 COc1cc2c(N3CCN(C(=O)C4CCCC4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269088 cell-based format
CHEMBL4646480 OBDepict CH 3 NH N N H 3 C H N IC50 = 520.0 nM 372.52 CNCCN1CCC(c2ccc3[nH]c(-c4ccc(C#N)cc4)c(C)c3c2)CC1 Homo sapiens CHEMBL4622742 cell-based format
CHEMBL4641162 OBDepict CH 3 HN N N H 3 C H O O H 3 C H 3 C IC50 = 550.0 nM 421.59 CNCCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C)c3c2)CC1 Homo sapiens CHEMBL4622742 cell-based format
CHEMBL4084216 OBDepict NH 2 HN O N O O N IC50 = 590.0 nM 470.57 NCc1ccc(C(=O)Nc2cccc(-c3nc4ccc(OCCCN5CCCC5)cc4o3)c2)cc1 Homo sapiens CHEMBL4035077 cell-based format
CHEMBL4644419 OBDepict CH 3 NH N N H 3 C H N IC50 = 600.0 nM 372.52 CNCCN1CCC(c2ccc3[nH]c(-c4ccccc4C#N)c(C)c3c2)CC1 Homo sapiens CHEMBL4622742 cell-based format