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P29275 | AA2BR_HUMAN | Adenosine receptor A2b (ADORA2B)

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
CHEMBL4552275 OBDepict CH 3 N O O N N H H N S N O O N Br Ki = 0.0835 nM 573.47 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Br)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4450864 OBDepict CH 3 N O O N N H H N S N O O N Br Ki = 0.137 nM 573.47 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5Br)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4464522 OBDepict CH 3 N O O N N H H N S N O O N Br Ki = 0.148 nM 587.5 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Br)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4540206 OBDepict CH 3 N O O N N H H N S N O O N Br Ki = 0.153 nM 587.5 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Br)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL486478 OBDepict CH 3 N O O N N H H N S N O O N F F F Ki = 0.157 nM 562.57 CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL3121728 OBDepict Cl N N O N N H N CH 3 O N O CH 3 Ki = 0.17 nM 523.04 Cn1c(=O)c2[nH]c(-c3ccc(OCCCN4CCN(Cc5ccccc5Cl)CC4)cc3)nc2n(C)c1=O Homo sapiens CHEMBL3123572 cell-based format
CHEMBL483261 OBDepict CH 3 N O O N N H H N S N O O N Cl Ki = 0.215 nM 529.02 CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL4463929 OBDepict CH 3 N O O N N H H N S N O O N O Cl CH 3 Ki = 0.215 nM 559.05 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)c(OC)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4466625 OBDepict CH 3 N O O N N H H N S N O O N Br Ki = 0.234 nM 573.47 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(Br)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4567785 OBDepict CH 3 N O O N N H H N S N O O N N + N _ N Ki = 0.244 nM 549.62 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(N=[N+]=[N-])cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL519390 OBDepict CH 3 N O O N N H H N S N O O N F F F Ki = 0.281 nM 562.57 CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL486479 OBDepict CH 3 N O O N N H H N S N O O N F F F Ki = 0.303 nM 576.6 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C(F)(F)F)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL4460114 OBDepict CH 3 N O O N N H H N S N O O N Cl Ki = 0.342 nM 529.02 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4530074 OBDepict CH 3 N O O N N H H N S N O O N Cl O H 3 C Ki = 0.352 nM 559.05 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)c(Cl)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL482436 OBDepict CH 3 N O O N N H H N S N O O N Cl Ki = 0.393 nM 543.05 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL4440526 OBDepict CH 3 N O O N N H H N S N O O N CH 3 Ki = 0.397 nM 522.63 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4441276 OBDepict CH 3 N O O N N H H N S N O O N Cl Ki = 0.403 nM 529.02 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5Cl)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL483487 OBDepict CH 3 N O O N N H H N S N O O N Cl Ki = 0.406 nM 515.0 CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL485862 OBDepict CH 3 HN O N H N N N H N O N Ki = 0.41 nM 525.66 CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCN(CCCc4ccccc4)CC3)cc12 Homo sapiens CHEMBL947856 single protein format
CHEMBL4454417 OBDepict CH 3 N O O N N H H N S N O O N OH Cl Ki = 0.421 nM 545.02 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)c(O)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4443090 OBDepict CH 3 N O O N N H H N S N O O N CH 3 Ki = 0.432 nM 508.6 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5C)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL484900 OBDepict CH 3 N O O N N H H N S N O O N F Ki = 0.446 nM 526.59 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL519253 OBDepict CH N O O N N H H N S N O O N Cl Ki = 0.473 nM 524.99 C#CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL3786849 OBDepict CH 3 N H O HN N N N N H N O N Ki = 0.5 nM 526.65 CC(=O)NCCNc1nc(-c2ccccc2)nc2nc(C(=O)N3CCN(CCCc4ccccc4)CC3)[nH]c12 Homo sapiens CHEMBL3791363 cell-based format
CHEMBL483688 OBDepict CH 3 N O O N N H H N S N O O N Cl Ki = 0.553 nM 529.02 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL520830 OBDepict CH 3 N O O N N H H N S N O O N F Ki = 0.595 nM 526.59 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL1672631 OBDepict O N H N N F F N Ki = 0.6 nM 352.34 O=C(Nc1cnc(-c2ccncc2F)c(-c2ccccc2F)n1)C1CC1 Homo sapiens CHEMBL1679071 cell-based format
CHEMBL482638 OBDepict CH 3 N O O N N H H N S N O O N Cl Ki = 0.61 nM 529.02 CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL4456096 OBDepict CH 3 N O O N N H H N S N O O N O CH 3 Ki = 0.616 nM 524.6 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(OC)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4464175 OBDepict CH 3 N O O N N H H N S N O O N O F H 3 C Ki = 0.629 nM 556.62 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)c(OC)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4466765 OBDepict CH 3 N O O N N H H N S N O O N F Ki = 0.632 nM 512.57 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5cccc(F)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4572369 OBDepict CH 3 N O O N N H H N S N O O N Ki = 0.643 nM 494.58 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4471205 OBDepict CH 3 N O O N N H H N S N O O N F Ki = 0.644 nM 512.57 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL484899 OBDepict CH 3 N O O N N H H N S N O O N F Ki = 0.695 nM 512.57 CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(F)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL4464738 OBDepict CH 3 N O O N N H H N S N O O N CH 3 Ki = 0.706 nM 508.6 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(C)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL483688 OBDepict CH 3 N O O N N H H N S N O O N Cl IC50 = 0.739 nM 529.02 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4189485 cell-based format
CHEMBL486688 OBDepict CH 3 N O O N N H H N S N O O N F F F Ki = 0.775 nM 576.6 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL483469 OBDepict CH 3 N O O N N H H N S N O O N Cl Ki = 0.782 nM 543.05 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(Cl)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL513681 OBDepict O N H O S N H N CH 3 O N O CH 3 Ki = 0.8 nM 410.46 Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccsc4)cc3)cc2n(C)c1=O Homo sapiens CHEMBL976198 cell-based format
CHEMBL518972 OBDepict CH 3 N O O N N H H N S N O O N H 3 C Ki = 0.858 nM 522.63 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL483065 OBDepict CH 3 N O O N N H H N S N O O N O O Ki = 0.875 nM 538.59 CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL4453324 OBDepict CH 3 N O O N N H H N S N O O N F O H 3 C Ki = 0.894 nM 556.62 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)c(F)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4068507 OBDepict H 3 C N N O N N H O H 3 C N N N O N F F F Ki = 0.9 nM 572.59 CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)c3)nc2n(CCC)c1=O Homo sapiens CHEMBL3995074 cell-based format
CHEMBL482855 OBDepict CH 3 N O O N N H H N S N O O N O H 3 C Ki = 0.944 nM 538.63 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL437309 OBDepict Br N N S O O N H N CH 3 O N O CH 3 IC50 = 1.0 nM 572.49 Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Br)cc5)CC4)cc3)cc2n(C)c1=O Homo sapiens CHEMBL864807 cell-based format
CHEMBL1081812 OBDepict O N H N O N Ki = 1.0 nM 305.34 O=C(Nc1ccc(-c2ccncc2)c(-c2ccco2)n1)C1CC1 Homo sapiens CHEMBL1102041 cell-based format
CHEMBL456125 OBDepict H 3 C N O N HO N H O H 3 C O N H O Br Ki = 1.0 nM 555.43 CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)c(O)c2n(CCC)c1=O Homo sapiens CHEMBL1036747 cell-based format
CHEMBL1079804 OBDepict O N H N O F N Ki = 1.0 nM 323.33 O=C(Nc1ccc(-c2ccncc2F)c(-c2ccco2)n1)C1CC1 Homo sapiens CHEMBL1102041 cell-based format
CHEMBL1080513 OBDepict O N N H H O N O N N Ki = 1.0 nM 307.27 O=c1[nH]c(=O)c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1 Homo sapiens CHEMBL1100686 cell-based format
CHEMBL3121726 OBDepict H N N N O N H 3 C CH 3 O O Ki = 1.0 nM 340.38 Cn1c(=O)c2[nH]c(-c3ccc(OC4CCCC4)cc3)nc2n(C)c1=O Homo sapiens CHEMBL3123572 cell-based format
CHEMBL4095766 OBDepict CH 3 N N O N N H O H 3 C O N O F F F Ki = 1.0 nM 569.58 CCCn1c(=O)c2[nH]c(-c3ccc(OCC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)cc3)nc2n(CCC)c1=O Homo sapiens CHEMBL3995074 cell-based format
CHEMBL1672623 OBDepict O N H N N F N Ki = 1.0 nM 334.35 O=C(Nc1cnc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1 Homo sapiens CHEMBL1679071 cell-based format
CHEMBL4083317 OBDepict CH 3 N N O N N H O H 3 C N N N O F F F Ki = 1.0 nM 543.55 CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(F)(F)F)cc5)C4)c3)nc2n(CCC)c1=O Homo sapiens CHEMBL3995074 cell-based format
CHEMBL208824 OBDepict H N N N CH 3 N N O N O H 3 C F F F Ki = 1.0 nM 404.35 Cn1c(=O)c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2n(C)c1=O Homo sapiens CHEMBL870844 cell-based format
CHEMBL200779 OBDepict CH 3 N N O N H N O CH 3 N N O N N Ki = 1.0 nM 460.5 CCCn1c(=O)c2nc(-c3cnn(Cc4nc(-c5ccccc5)no4)c3)[nH]c2n(CCC)c1=O Homo sapiens CHEMBL871361 cell-based format
CHEMBL4467573 OBDepict CH 3 N O N O H N N H S N O O N F O H 3 C Ki = 1.02 nM 556.62 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cc(F)cc(OC)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL3121727 OBDepict H N N N O N CH 3 CH 3 O O N N Ki = 1.05 nM 380.41 Cn1c(=O)c2[nH]c(-c3ccc(OCCCn4ccnc4)cc3)nc2n(C)c1=O Homo sapiens CHEMBL3123572 cell-based format
CHEMBL4215606 OBDepict CH 3 N O N O N N S N O O N Cl IC50 = 1.06 nM 541.03 CCCN1C(=O)N=C2N=C(c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)N=C2C1=O Homo sapiens CHEMBL4189485 cell-based format
CHEMBL486893 OBDepict CH 3 N O O N N H H N S N O O N O O Ki = 1.06 nM 552.61 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL519813 OBDepict CH 3 N O O N N H H N S N O O N Ki = 1.15 nM 494.58 CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL482648 OBDepict H 3 C O N N S O O N N H N H O N O CH 3 Ki = 1.19 nM 524.6 CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL416417 OBDepict CH 3 N O O N N H N H O N H O HO Ki = 1.2 nM 387.4 CCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)nc2c1=O Homo sapiens CHEMBL642011 single protein format
CHEMBL37726 OBDepict CH 3 N O O N N H N H O N O N O CH 3 Ki = 1.2 nM 532.6 CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccccc5OC)CC4)cc3)nc2c1=O Homo sapiens CHEMBL642011 single protein format
CHEMBL490262 OBDepict H 3 C N O O N N CH 3 H O N H O HO Ki = 1.2 nM 400.44 CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O Homo sapiens CHEMBL947856 single protein format
CHEMBL4092455 OBDepict CH 3 N N O N N H O H 3 C N N HO N O F F F Ki = 1.2 nM 573.58 CCCn1c(=O)c2[nH]c(-c3cnn(CC(O)C4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)nc2n(CCC)c1=O Homo sapiens CHEMBL3995074 cell-based format
CHEMBL4556744 OBDepict CH 3 N O O N N H H N S N O O N F O H 3 C Ki = 1.24 nM 542.59 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)c(F)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL520297 OBDepict CH 3 N O O N N H H N S N O O N F Ki = 1.27 nM 512.57 CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(F)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL4437222 OBDepict CH 3 N O O N N H H N S N O O N O H 3 C Ki = 1.28 nM 538.63 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5cccc(OC)c5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4087158 OBDepict CH 3 N O O N N H H N N N F F F Ki = 1.3 nM 442.4 CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4ccc(C(F)(F)F)cc4)c3)[nH]c2c1=O Homo sapiens CHEMBL4021342 cell-based format
CHEMBL38304 OBDepict CH 3 N O O N N H N H O N O N Ki = 1.3 nM 516.6 CCCCn1c(=O)[nH]c2[nH]c(-c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)nc2c1=O Homo sapiens CHEMBL642011 single protein format
CHEMBL3121723 OBDepict H N N N O N H 3 C CH 3 O O N O Ki = 1.34 nM 385.42 Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc2n(C)c1=O Homo sapiens CHEMBL3123572 cell-based format
CHEMBL592891 OBDepict CH 3 N O N N N O CH 3 CH 3 O NH O O H 3 C Ki = 1.39 nM 517.59 CCCn1c(=O)c2c(nc(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)n2C)n(CCC)c1=O Homo sapiens CHEMBL1066997 single protein format
CHEMBL4088514 OBDepict CH 3 N N O N N H O H 3 C N N F F F Ki = 1.5 nM 484.48 CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4ccc(C(F)(F)F)cc4)c3)nc2n(CCC)c1=O Homo sapiens CHEMBL4021342 cell-based format
CHEMBL260051 OBDepict H 3 C N O N N H O H 3 C O N O N Cl Ki = 1.5 nM 564.09 CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)cc2n(CCC)c1=O Homo sapiens CHEMBL939997 cell-based format
CHEMBL4095843 OBDepict H 3 C N N O N N H O H 3 C N N N O N F F F Ki = 1.5 nM 572.59 CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)nc2n(CCC)c1=O Homo sapiens CHEMBL3995074 cell-based format
CHEMBL520617 OBDepict CH 3 N O O N N H H N S N O O N H 3 C Ki = 1.58 nM 508.6 CCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(C)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL4079273 OBDepict CH 3 N O O N N H H N N N F Ki = 1.6 nM 392.39 CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4ccc(F)cc4)c3)[nH]c2c1=O Homo sapiens CHEMBL4021342 cell-based format
CHEMBL4059779 OBDepict CH 3 N O O N N H H N N N O F F F Ki = 1.6 nM 458.4 CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4ccc(OC(F)(F)F)cc4)c3)[nH]c2c1=O Homo sapiens CHEMBL4021342 cell-based format
CHEMBL4473749 OBDepict CH 3 N O N O H N N H S N O O H 3 C Ki = 1.69 nM 467.55 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N(C)CCc4ccccc4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL466035 OBDepict CH 3 N O N N H O H 3 C O N H O N O Ki = 1.7 nM 451.48 CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccon4)cc3)cc2n(CCC)c1=O Homo sapiens CHEMBL976198 cell-based format
CHEMBL4080171 OBDepict H 3 C N N O N N H O H 3 C N N N O N Cl F Ki = 1.8 nM 557.03 CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5ccc(F)c(Cl)c5)CC4)c3)nc2n(CCC)c1=O Homo sapiens CHEMBL3995074 cell-based format
CHEMBL4537196 OBDepict CH 3 N O O N N H 3 C H N S N O O N Cl Ki = 1.91 nM 543.05 CCCn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)nc2n(C)c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL4461478 OBDepict CH 3 N O O N N H H N S N O O N F Cl Ki = 1.91 nM 547.01 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5F)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL4346832 cell-based format
CHEMBL273807 OBDepict H 3 C N N O N N H O H 3 C O N H O N Ki = 1.97 nM 486.53 CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C#N)cc4)cc3)nc2n(CCC)c1=O Homo sapiens CHEMBL645971 single protein format
CHEMBL3121724 OBDepict H N N N O N H 3 C CH 3 O O N Ki = 1.97 nM 369.43 Cn1c(=O)c2[nH]c(-c3ccc(OCCN4CCCC4)cc3)nc2n(C)c1=O Homo sapiens CHEMBL3123572 cell-based format
CHEMBL486481 OBDepict CH 3 N O O N N H H N S N O O N O H 3 C Ki = 1.99 nM 524.6 CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)[nH]c2c1=O Homo sapiens CHEMBL948832 cell-based format
CHEMBL512276 OBDepict H 3 C N O N N H O H 3 C O N H O F Ki = 2.0 nM 478.52 CCCn1c(=O)c2[nH]c(-c3ccc(COC(=O)Nc4ccc(F)cc4)cc3)cc2n(CCC)c1=O Homo sapiens CHEMBL976198 cell-based format
CHEMBL1082028 OBDepict O N H N F N Ki = 2.0 nM 333.37 O=C(Nc1ccc(-c2ccncc2)c(-c2ccccc2F)n1)C1CC1 Homo sapiens CHEMBL1102041 cell-based format
CHEMBL412112 OBDepict H 3 C N O N N CH 3 H O O N O N F F F Ki = 2.0 nM 569.58 CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)cc21 Homo sapiens CHEMBL939997 cell-based format
CHEMBL1672633 OBDepict O N H N N O N F N Ki = 2.0 nM 325.3 O=C(Nc1cnc(-c2ccncc2F)c(-c2cnco2)n1)C1CC1 Homo sapiens CHEMBL1679071 cell-based format
CHEMBL408266 OBDepict CH 3 N O O N N CH 3 H N N N Ki = 2.0 nM 350.38 CCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc2n(C)c1=O Homo sapiens CHEMBL933586 cell-based format
CHEMBL260692 OBDepict CH 3 N N O O H 3 C N H N CH 3 O N O H 3 C Ki = 2.0 nM 501.59 Cc1ccc(N2CCN(C(=O)C(C)Oc3ccc(-c4cc5c([nH]4)c(=O)n(C)c(=O)n5C)cc3)CC2)cc1 Homo sapiens CHEMBL939997 cell-based format
CHEMBL1076587 OBDepict O N H N F N Ki = 2.0 nM 333.37 O=C(Nc1ccc(-c2ccncc2)c(-c2cccc(F)c2)n1)C1CC1 Homo sapiens CHEMBL1102041 cell-based format
CHEMBL469136 OBDepict O N O N H N CH 3 O N O H 3 C Ki = 2.1 nM 444.49 Cn1c(=O)c2[nH]c(-c3ccc(COC(=O)N4CCc5ccccc5C4)cc3)cc2n(C)c1=O Homo sapiens CHEMBL976198 cell-based format
CHEMBL1672611 OBDepict O N H N N O N Ki = 2.2 nM 306.33 O=C(Nc1cnc(-c2ccncc2)c(-c2ccco2)n1)C1CC1 Homo sapiens CHEMBL1679071 cell-based format
CHEMBL201145 OBDepict H 3 C N O N N H O H 3 C O N H O Br Ki = 2.2 nM 539.43 CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O Homo sapiens CHEMBL1036747 cell-based format
CHEMBL4105001 OBDepict CH 3 N O O N N H H N N N F F F Ki = 2.2 nM 442.4 CCCn1c(=O)[nH]c2nc(-c3cnn(CC#Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O Homo sapiens CHEMBL4021342 cell-based format
CHEMBL1672619 OBDepict O N H N N O H 3 C N Ki = 2.2 nM 320.35 Cc1ccc(-c2nc(NC(=O)C3CC3)cnc2-c2ccncc2)o1 Homo sapiens CHEMBL1679071 cell-based format
CHEMBL4569909 OBDepict CH 3 O N S O N H 3 C O N H 3 C N H IC50 = 2.4 nM 438.55 COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cc3nc[nH]c3C)sc21 Homo sapiens CHEMBL4422945 cell-based format
CHEMBL259857 OBDepict CH 3 N O N N H 3 C H O O N O Ki = 2.5 nM 500.6 CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCC(c5ccccc5)CC4)cc3)cc21 Homo sapiens CHEMBL939997 cell-based format