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P25106 | ACKR3_HUMAN | Atypical chemokine receptor 3 (ACKR3)

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
CHEMBL4758472 OBDepict O N H H N H HN CH 3 CH 3 N O N O F F IC50 = 0.37 nM 551.64 CC(C)(NC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4782111 OBDepict O HN H N H N H N N O N O F F Ki = 0.53 nM 522.56 O=C(N[C@H]1CCN(CC2CC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706372 cell-based format
CHEMBL4799528 OBDepict O NH H N H N H N N O N O F F IC50 = 0.6 nM 536.58 O=C(N[C@H]1CCN(CC2CCC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4794973 OBDepict O NH H N H N H N N O N O F F IC50 = 0.75 nM 550.61 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4753893 OBDepict F F O N N H O H H N N O H 3 C CH 3 IC50 = 1.5 nM 460.53 CN(C)C(=O)[C@@H]1CN(C2CCCCC2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4741307 OBDepict O HN H N H N H N N O N O F F IC50 = 1.9 nM 536.58 O=C(N[C@H]1CCN(C2CCCC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4744654 OBDepict H 3 C O H N H N H O N O F F IC50 = 2.0 nM 419.47 CO[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4795114 OBDepict H 3 C O O H N H N H O N O F F IC50 = 2.0 nM 447.48 COC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4794569 OBDepict F F O N N H O H H OH N IC50 = 2.0 nM 405.45 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1O)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4740027 OBDepict O N H H N H NH O N O F F IC50 = 2.7 nM 536.62 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NCCc1ccccc1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4758009 OBDepict O NH H N H N H N N O CH 3 N O F F IC50 = 2.7 nM 536.58 CC1(CN2CC[C@H](NC(=O)c3cc(-c4ccc(F)cc4F)on3)[C@@H](C(=O)NC3(c4ncccn4)CC3)C2)CC1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4782111 OBDepict O HN H N H N H N N O N O F F IC50 = 3.2 nM 522.56 O=C(N[C@H]1CCN(CC2CC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4789874 OBDepict O NH H N H N H N O N O F F IC50 = 4.2 nM 549.62 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NC1(c2ccccn2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4794487 OBDepict F F O N N H O N IC50 = 5.0 nM 389.45 O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4752112 OBDepict OH H N H N H O N O F F IC50 = 5.0 nM 419.47 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1CO)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4759284 OBDepict H 3 C O H N H N H O N O F F IC50 = 5.0 nM 433.5 CCO[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4764929 OBDepict O N H H N H HN CH 3 H O N O F F IC50 = 5.5 nM 536.62 C[C@@H](NC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccc1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4755755 OBDepict O N H H N H HN CH 3 H N O N O F F IC50 = 6.7 nM 537.61 C[C@@H](NC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4746586 OBDepict F F N O N NH O N IC50 = 7.0 nM 390.43 O=C(NC1CCN(C2CCCCC2)CC1)c1nnc(-c2ccc(F)cc2F)o1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4747997 OBDepict F F O N N H O H H N N O H 3 C CH 3 IC50 = 7.4 nM 460.53 CN(C)C(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4761704 OBDepict O N H H N H NH O N N O F F IC50 = 8.7 nM 537.61 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NCCc1ccccn1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4064803 OBDepict CH 3 O N N N N S Ki = 9.0 nM 430.58 COc1ccc2cccnc2c1N1CCCN(Cc2csc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL4049322 cell-based format
CHEMBL4784287 OBDepict F F O N N H O N IC50 = 9.0 nM 375.42 O=C(NC1CCN(C2CCCC2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4746972 OBDepict F F O N NH O N IC50 = 9.0 nM 361.39 O=C(NC1CCN(C2CCC2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4744404 OBDepict F F O N N H O H H N N O H 3 C IC50 = 10.0 nM 550.65 CN(CCc1ccccc1)C(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4084050 OBDepict H 3 C N N N N H O H 2 N N O H H O H Ki = 13.0 nM 522.69 CCc1ccn2ccnc2c1N1CCCN([C@@H](CC(N)=O)C2CCN(C(=O)[C@H]3C[C@@H]4CC[C@H]3O4)CC2)CC1 Homo sapiens CHEMBL4049322 cell-based format
CHEMBL4855707 OBDepict H 3 C N CH 3 N O H H H NH O H N N N Ki = 17.0 nM 408.51 CCN(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@H]1CCN(c2nccc3cccnc23)C1 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4787160 OBDepict CH 3 N H H N H HN O O N N N O F F IC50 = 18.4 nM 510.55 CCCN1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4750452 OBDepict F F O N N NH O N IC50 = 20.0 nM 390.43 O=C(NC1CCN(C2CCCCC2)CC1)c1noc(-c2ccc(F)cc2F)n1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4783788 OBDepict O NH H N H N H N N H 3 C CH 3 O N O F F IC50 = 20.5 nM 510.55 CC(C)N1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4751211 OBDepict F F O N N H O N IC50 = 21.0 nM 397.43 O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4745796 OBDepict O NH H N H N H N N O F N O F F IC50 = 24.0 nM 540.55 O=C(N[C@H]1CCN(CC2(F)CC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4757001 OBDepict O NH H N H N H N N O N O F F IC50 = 25.0 nM 522.56 O=C(N[C@H]1CCN(C2CCC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4745495 OBDepict F F N O N H O N IC50 = 28.0 nM 389.45 O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2F)no1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4086432 OBDepict CH 3 N N N N N S Ki = 29.0 nM 403.56 Cc1ccn2ccnc2c1N1CCCN(Cc2csc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL4049322 cell-based format
CHEMBL4798467 OBDepict F F N N N N H O N IC50 = 34.0 nM 389.45 O=C(NC1CCN(C2CCCCC2)CC1)c1cn(-c2ccc(F)cc2F)nn1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4784443 OBDepict O HN H N H N H O N O F F IC50 = 36.0 nM 522.6 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4877999 OBDepict CH 3 N H 3 C N O H H H HN O H N N N S Ki = 40.0 nM 414.54 CCN(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@H]1CCN(c2nccc3scnc23)C1 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4092499 OBDepict F O F F N N N N S Ki = 42.0 nM 484.55 FC(F)(F)Oc1ccc2cccnc2c1N1CCCN(Cc2csc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL4049322 cell-based format
CHEMBL4751769 OBDepict OH HN H O H N H N H O N O F F IC50 = 43.1 nM 552.62 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)N[C@H](CO)c1ccccc1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4072602 OBDepict H 3 C N N N N N O H H O H Ki = 47.0 nM 465.64 CCc1ccn2ccnc2c1N1CCCN(CC2CCN(C(=O)[C@H]3C[C@@H]4CC[C@H]3O4)CC2)CC1 Homo sapiens CHEMBL4049322 cell-based format
CHEMBL4762800 OBDepict H 3 C N H H N H N H O O N N N O F F IC50 = 48.0 nM 496.52 CCN1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4757151 OBDepict CH 3 O N H H N H HN O O N N N O F F IC50 = 49.2 nM 526.54 COCCN1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4744321 OBDepict O HN H N H N H N O N O F F IC50 = 51.0 nM 523.58 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NCc1ccccn1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4105264 OBDepict CH 3 O N N N N N S Ki = 52.0 nM 419.55 COc1ccn2ccnc2c1N1CCCN(Cc2csc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL4049322 cell-based format
CHEMBL4848754 OBDepict CH 3 N H 3 C N O H H H HN O H N N N N Ki = 52.0 nM 397.48 CCN(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@H]1CCN(c2nccn3ccnc23)C1 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4875191 OBDepict O N N H H 3 C H H H NH O H N N N N Ki = 53.0 nM 423.52 C[C@@H]1CCCN1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@H]1CCN(c2nccn3ccnc23)C1 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4763552 OBDepict O N H N O N F IC50 = 53.0 nM 371.46 O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4744298 OBDepict F F N N NH O N IC50 = 55.0 nM 388.46 O=C(NC1CCN(C2CCCCC2)CC1)c1cnn(-c2ccc(F)cc2F)c1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4760563 OBDepict O N H O N F F IC50 = 78.0 nM 378.46 O=C(CCC(=O)c1ccc(F)cc1F)NC1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4778471 OBDepict H 3 C N H O H N H N H O N O F F IC50 = 82.0 nM 446.5 CNC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4748435 OBDepict F N H H N H HN O O N N N O F F IC50 = 85.0 nM 528.54 O=C(N[C@H]1CCN(CCCF)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL2381328 OBDepict CH 3 O CH 3 N N N N O N S N H CH 3 CH 3 IC50 < 100.0 nM 522.72 COc1c(C)cc2cccnc2c1N1CCCN(C(C(=O)N2CCNCC2)c2csc(C(C)C)n2)CC1 Homo sapiens CHEMBL2384566 single protein format
CHEMBL4743447 OBDepict CH 3 N H H N H N H O O N N N O F F IC50 = 111.0 nM 482.49 CN1CC[C@H](NC(=O)c2cc(-c3ccc(F)cc3F)on2)[C@@H](C(=O)NC2(c3ncccn3)CC2)C1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4741840 OBDepict H 3 C N H 3 C O H N H N H O N O F F IC50 = 118.0 nM 474.55 CCN(C)C(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4753739 OBDepict O N H N O N F IC50 = 121.0 nM 371.46 O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccccc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4747942 OBDepict OH O H N H N H O N O F F IC50 = 138.0 nM 433.46 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)O)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4850844 OBDepict O HN H H H H N N O N H N N H H Ki = 151.0 nM 434.54 O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)C[C@H]21 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4782420 OBDepict H 2 N O H N H N H O N O F F IC50 = 156.0 nM 432.47 NC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4760960 OBDepict CH 3 O N N H O N O F F IC50 = 157.0 nM 365.38 COCCN1CCC(NC(=O)c2cc(-c3ccc(F)cc3F)on2)CC1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4867524 OBDepict O N N H H H N H O H N N N N Ki = 160.0 nM 409.49 O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)[C@@H]1[C@H]2CN(C(=O)N3CCCC3)C[C@H]21 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4764191 OBDepict O HN H NH H N H N N O N O F F IC50 = 169.0 nM 468.46 O=C(N[C@H]1CCNC[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4850025 OBDepict CH 3 N H 3 C N O H H H HN O H N N N Ki = 198.0 nM 382.47 CCN(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@H]1CCN(c2ncccc2C#N)C1 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4764382 OBDepict F F O N HN O H H N N O IC50 = 201.0 nM 472.54 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)N1CCC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4753025 OBDepict F F O N N O N IC50 = 213.0 nM 479.57 O=C(c1cc(-c2ccc(F)cc2F)on1)N(Cc1ccccc1)C1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4874070 OBDepict O N H H H N H O H N N N N Ki = 231.0 nM 408.51 O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)[C@@H]1[C@H]2CN(C(=O)C3CCCC3)C[C@H]21 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4755726 OBDepict F F N N N H O N IC50 = 236.0 nM 400.47 O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2F)ncn1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4753052 OBDepict H 3 C O N H 3 C O H N H N H O N O F F IC50 = 282.0 nM 504.58 COCCN(C)C(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4875835 OBDepict O N H N S H N N N N Ki = 291.0 nM 390.47 O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1csc(-c2ccccc2)n1 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4746159 OBDepict O N H O N F Cl IC50 = 331.0 nM 394.92 O=C(CCC(=O)c1ccc(Cl)cc1F)NC1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4763080 OBDepict O N H H N H HN CH 3 H N O N O F F IC50 = 353.0 nM 537.61 C[C@@H](NC(=O)[C@@H]1CN(C2CCCCC2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4862143 OBDepict O N N H H 3 C H H H NH O H N N N N Ki = 370.0 nM 423.52 C[C@H]1CCCN1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@H]1CCN(c2nccn3ccnc23)C1 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4782756 OBDepict O N H O N F IC50 = 374.0 nM 360.47 O=C(CCC(=O)c1ccc(F)cc1)NC1CCN(C2CCCCC2)CC1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4797644 OBDepict O N H N N N N CH 3 IC50 = 380.0 nM 367.5 Cc1ccc(-n2cc(C(=O)NC3CCN(C4CCCCC4)CC3)nn2)cc1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4755359 OBDepict O N H H N H HN CH 3 H N O N O F F IC50 = 410.0 nM 537.61 C[C@H](NC(=O)[C@@H]1CN(C2CCCCC2)CC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4761692 OBDepict HO NH O H N H N H O N O F F IC50 = 429.0 nM 476.52 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)NCCO)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4862073 OBDepict CH 3 N H 3 C N O H H H HN O H N N N N Ki = 430.0 nM 383.46 CN(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@H]1CCN(c2nccn3ccnc23)C1 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4850144 OBDepict CH 3 N N O CH 3 H 3 C H H H HN O H N N N N Ki = 485.0 nM 411.51 CC(C)N(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N[C@H]1CCN(c2nccn3ccnc23)C1 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4090193 OBDepict CH 3 N N N N N O H H O H Ki = 520.0 nM 451.62 Cc1ccn2ccnc2c1N1CCCN(CC2CCN(C(=O)[C@H]3C[C@@H]4CC[C@H]3O4)CC2)CC1 Homo sapiens CHEMBL4049322 cell-based format
CHEMBL4786398 OBDepict F F O N N H O HN IC50 = 548.0 nM 307.3 O=C(NC1CCNCC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4786157 OBDepict O NH H N H N H N N O N O F F IC50 = 554.0 nM 508.53 O=C(N[C@H]1CCN(C2CC2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4776776 OBDepict O HN O N F H 3 C CH 3 F IC50 = 574.0 nM 338.4 CC(C)N1CCC(NC(=O)CCC(=O)c2ccc(F)cc2F)CC1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4634148 OBDepict H 2 N O H N O N S Ki = 597.0 nM 483.64 NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCOc2ccc(-c3nccs3)cc2)C1 Homo sapiens CHEMBL4619296 cell-based format
CHEMBL4749975 OBDepict F F O N N H O H F F N IC50 = 611.0 nM 425.43 O=C(N[C@H]1CCN(C2CCCCC2)CC1(F)F)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4634148 OBDepict H 2 N O H N O N S IC50 = 622.0 nM 483.64 NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCOc2ccc(-c3nccs3)cc2)C1 Homo sapiens CHEMBL4619299 cell-based format
CHEMBL4852282 OBDepict O HN H H H H N N O N H N N H O H Ki = 718.0 nM 436.52 O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)[C@@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]4CC[C@H]3O4)C[C@H]21 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4095095 OBDepict H 3 C CH 3 N N N N N S Ki = 730.0 nM 443.62 CC(C)c1cc2cccnc2c(N2CCCN(Cc3csc(-c4ccccc4)n3)CC2)n1 Homo sapiens CHEMBL4049322 cell-based format
CHEMBL4064969 OBDepict F F F N N N N N S Ki = 760.0 nM 457.52 FC(F)(F)c1ccn2ccnc2c1N1CCCN(Cc2csc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL4049322 cell-based format
CHEMBL4067018 OBDepict H 3 C N N N N N O H H O H Ki = 760.0 nM 465.64 CCc1ccn2ccnc2c1N1CCCN(CC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CC1 Homo sapiens CHEMBL4049322 cell-based format
CHEMBL4750200 OBDepict F F O N N H O H H N N O IC50 = 764.0 nM 486.56 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)N1CCCC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4765016 OBDepict CH 3 N N N N H O N H 3 C CH 3 IC50 = 800.0 nM 327.43 Cc1ccc(-n2cc(C(=O)NC3CCN(C(C)C)CC3)nn2)cc1 Homo sapiens CHEMBL4706355 cell-based format
CHEMBL4859270 OBDepict O N H H H N N O N H N N H O H Ki = 889.0 nM 452.56 O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1 Homo sapiens CHEMBL4810794 single protein format
CHEMBL4088584 OBDepict CH 3 N N N N N S Ki = 900.0 nM 403.56 Cc1cc(N2CCCN(Cc3csc(-c4ccccc4)n3)CC2)c2nccn2c1 Homo sapiens CHEMBL4049322 cell-based format
CHEMBL4066544 OBDepict O N N N H 3 C N N Ki = 950.0 nM 423.61 Cc1ccn2ccnc2c1N1CCCN(CC2CCN(C(=O)C3CCCC3)CC2)CC1 Homo sapiens CHEMBL4049322 cell-based format
CHEMBL4748574 OBDepict O HN H N H N H O N O F F IC50 = 968.0 nM 508.57 O=C(N[C@H]1CCN(C2CCCCC2)C[C@@H]1C(=O)Nc1ccccc1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4790430 OBDepict O NH H N H N H N N O N F F O F F IC50 = 975.0 nM 558.54 O=C(N[C@H]1CCN(C2CC(F)(F)C2)C[C@@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cc2F)on1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL4777688 OBDepict O N H H N H HN CH 3 H N O N O F F IC50 = 981.0 nM 537.61 C[C@H](NC(=O)[C@H]1CN(C2CCCCC2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2F)on1)c1ccccn1 Homo sapiens CHEMBL4706356 cell-based format
CHEMBL2381329 OBDepict CH 3 O N N CH 3 N O N H O N H 3 C IC50 < 1000.0 nM 425.53 COc1ccc2c(c1)c1c(cnn1CC(=O)NCCN(C)C1CCCCC1)c(=O)n2C Homo sapiens CHEMBL2384566 single protein format