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Q08828 | ADCY1_HUMAN | Adenylate cyclase type 1 (ADCY1)

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
CHEMBL328689 OBDepict H 2 C H 3 C O O CH 3 HO H O H 3 C H O H HO H O CH 3 CH 3 CH 3 N H O N IC50 = 21.0 nM 558.67 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCCc1ccccn1)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL328561 OBDepict H 2 N N H O O H H O H H 3 C O H 3 C CH 3 CH 3 O H 3 C OH H HO H 3 C O H 2 C IC50 = 31.0 nM 496.6 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCCN)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL92229 OBDepict H 3 C O NH O O H H O H H 3 C O H 3 C CH 3 CH 3 O H 3 C OH H HO H 3 C O H 2 C IC50 = 32.0 nM 511.61 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCCOC)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL329247 OBDepict H 2 C H 3 C O O CH 3 HO H O H 3 C H O H HO H O CH 3 CH 3 CH 3 N H O IC50 = 36.0 nM 557.68 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCCc1ccccc1)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL93009 OBDepict H 2 C CH 3 O O H 3 C OH H O CH 3 H O H OH H O CH 3 H 3 C H 3 C N H O H 2 N IC50 = 39.0 nM 572.7 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCCc1ccc(N)cc1)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL52606 OBDepict CH 2 CH 3 O O CH 3 OH H O CH 3 H HO H OH H O H 3 C H 3 C H 3 C IC50 = 41.0 nM 410.51 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL317990 OBDepict OH NH O O H H HO CH 3 O H HO CH 3 H 3 C CH 3 CH 3 O H OH CH 2 IC50 = 43.0 nM 455.55 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCCO)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL432817 OBDepict H 3 C O O N H O O H H O H CH 3 O CH 3 CH 3 H 3 C O CH 3 OH H HO H 3 C O H 2 C IC50 = 44.0 nM 553.65 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCCC(=O)OCC)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL93242 OBDepict CH 2 H 3 C O O CH 3 HO H O CH 3 H HO H OH H N H O CH 3 H 3 C NH 2 IC50 = 64.0 nM 530.66 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCCc1ccc(N)cc1)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL93259 OBDepict CH 2 CH 3 O O H 3 C OH H HO CH 3 H O H OH H H 3 C H 3 C N H O IC50 = 65.0 nM 515.65 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCCc1ccccc1)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL92911 OBDepict CH 2 H 3 C O O CH 3 HO H O CH 3 H O H OH H O CH 3 CH 3 H 3 C N H O N CH 3 H 3 C IC50 = 73.0 nM 524.66 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCCN(C)C)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL329916 OBDepict H 3 C N H O O H H O H H 3 C O H 3 C CH 3 CH 3 O H 3 C OH H HO H 3 C O H 2 C IC50 = 76.0 nM 495.61 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCCC)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL328358 OBDepict H 2 C N H O O H H O H H 3 C O H 3 C CH 3 CH 3 O H 3 C OH H HO H 3 C O H 2 C IC50 = 76.0 nM 493.6 C=CCNC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@@](C)(C=C)CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12 Homo sapiens CHEMBL645668 assay format
CHEMBL430458 OBDepict H 2 C H 3 C O O CH 3 HO H O H 3 C H O H HO H O CH 3 CH 3 CH 3 N H O N IC50 = 82.0 nM 564.72 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCCN1CCCCC1)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL93521 OBDepict CH 3 NH O O H H HO CH 3 O H HO CH 3 H 3 C CH 3 CH 3 O H OH CH 2 IC50 = 89.0 nM 453.58 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCCC)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL327672 OBDepict CH 2 H 3 C O O CH 3 HO H O CH 3 H HO H OH H N H O CH 3 H 3 C OH IC50 = 95.0 nM 531.65 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCCc1ccc(O)cc1)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL93260 OBDepict CH 2 CH 3 O O CH 3 OH H O CH 3 H HO H OH H N H O H 3 C H 3 C CH 3 H 3 C IC50 = 112.0 nM 467.6 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCC(C)C)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL94343 OBDepict CH 2 CH 3 O O H 3 C OH H HO CH 3 H O H OH H H 3 C H 3 C N H O N IC50 = 117.0 nM 516.64 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCCc1ccccn1)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL92577 OBDepict H 2 C H 3 C O O CH 3 HO H O H 3 C H O H HO H O CH 3 CH 3 CH 3 N H O IC50 = 117.0 nM 549.71 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCC1CCCCC1)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL94313 OBDepict CH 2 CH 3 O O H 3 C OH H HO CH 3 H O H OH H H 3 C H 3 C N H O N IC50 = 123.0 nM 522.68 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCCN1CCCCC1)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL91909 OBDepict NH 2 NH O O H H HO CH 3 O H HO CH 3 H 3 C CH 3 CH 3 O H OH CH 2 IC50 = 128.0 nM 454.56 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCCN)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL330054 OBDepict HO N H O O H H O H H 3 C O H 3 C CH 3 CH 3 O H 3 C OH H HO H 3 C O H 2 C IC50 = 142.0 nM 497.59 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCCO)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL92857 OBDepict H 2 C CH 3 O O H 3 C OH H O CH 3 H OH H HO H N H O H 3 C CH 3 N IC50 = 143.0 nM 516.64 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCCc1ccccn1)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL93393 OBDepict H 2 C N H O O H H HO CH 3 O H OH H 3 C H 3 C CH 3 CH 3 O H OH CH 2 IC50 = 157.0 nM 451.56 C=CCNC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@](C)(C=C)O[C@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL93252 OBDepict H 2 C H 3 C O O CH 3 HO H OH H 3 C H O H HO H CH 3 CH 3 N H O NH 2 IC50 = 162.0 nM 530.66 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCCc1ccc(N)cc1)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL90423 OBDepict CH 2 CH 3 O O CH 3 OH H O CH 3 H O H OH H O H 3 C H 3 C H 3 C NH O CH 3 H 3 C IC50 = 167.0 nM 509.64 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCC(C)C)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL327612 OBDepict H 3 C O O NH O O H H HO H H 3 C O H 3 C CH 3 CH 3 OH H HO H 3 C O H 2 C IC50 = 171.0 nM 511.61 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCCC(=O)OCC)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL94168 OBDepict CH 3 O HN O O H H HO CH 3 O H OH H 3 C H 3 C CH 3 CH 3 O H OH CH 2 IC50 = 174.0 nM 469.58 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCCOC)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL93194 OBDepict H 2 C CH 3 O O H 3 C OH H O CH 3 H OH H HO H N H O H 3 C CH 3 N IC50 = 184.0 nM 522.68 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCCN1CCCCC1)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL89962 OBDepict CH 3 O O HN O O H H HO CH 3 O H OH H 3 C H 3 C CH 3 CH 3 O H OH CH 2 IC50 = 185.0 nM 511.61 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCCC(=O)OCC)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL92919 OBDepict NH 2 N H O O H H OH H CH 3 O CH 3 CH 3 H 3 C OH H HO H 3 C O H 2 C IC50 = 192.0 nM 454.56 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCCN)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL93042 OBDepict CH 2 CH 3 O O CH 3 OH H O CH 3 H HO H OH H N H O H 3 C H 3 C N CH 3 H 3 C IC50 = 228.0 nM 482.62 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCCN(C)C)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL327697 OBDepict OH N H O O H H OH H CH 3 O CH 3 CH 3 H 3 C OH H HO H 3 C O H 2 C IC50 = 230.0 nM 455.55 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCCO)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL92719 OBDepict H 2 C H 3 C O O CH 3 HO H OH H 3 C H O H HO H CH 3 CH 3 N H O OH IC50 = 236.0 nM 531.65 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCCc1ccc(O)cc1)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL93841 OBDepict CH 2 CH 3 O O CH 3 OH H HO CH 3 H O H OH H H 3 C H 3 C NH O N CH 3 H 3 C IC50 = 247.0 nM 482.62 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCCN(C)C)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL93468 OBDepict H 2 C CH 3 O O H 3 C OH H O CH 3 H OH H HO H N H O H 3 C CH 3 IC50 = 251.0 nM 515.65 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCCc1ccccc1)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL93469 OBDepict CH 2 CH 3 O O CH 3 OH H O CH 3 H O H OH H O H 3 C H 3 C H 3 C NH O H 3 C H 3 C CH 3 IC50 = 271.0 nM 537.69 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCCC(C)(C)C)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL420432 OBDepict H 2 C N H O O H H HO H CH 3 O H 3 C H 3 C CH 3 OH H OH CH 3 O CH 2 IC50 = 306.0 nM 451.56 C=CCNC(=O)O[C@@H]1[C@H](O)[C@@]2(C)O[C@@](C)(C=C)CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12 Homo sapiens CHEMBL645668 assay format
CHEMBL94135 OBDepict H 3 C O NH O O H H HO H H 3 C O H 3 C CH 3 CH 3 OH H HO H 3 C O H 2 C IC50 = 318.0 nM 469.58 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCCOC)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL317534 OBDepict CH 2 CH 3 O O H 3 C OH H HO CH 3 H O H OH H H 3 C H 3 C N H O IC50 = 433.0 nM 507.67 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCC1CCCCC1)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL330704 OBDepict CH 3 N H O O H H OH H CH 3 O CH 3 CH 3 H 3 C OH H HO H 3 C O H 2 C IC50 = 555.0 nM 453.58 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCCC)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL419139 OBDepict CH 2 H 3 C O O CH 3 HO H OH CH 3 H O H OH H CH 3 H 3 C N H O CH 3 CH 3 IC50 = 593.0 nM 467.6 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCC(C)C)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL91795 OBDepict CH 2 H 3 C O O CH 3 HO H O CH 3 H HO H OH H N H O CH 3 H 3 C CH 3 CH 3 CH 3 IC50 = 608.0 nM 495.66 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCCC(C)(C)C)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL93408 OBDepict CH 2 CH 3 O O CH 3 OH H HO CH 3 H O H OH H H 3 C H 3 C NH O H 3 C H 3 C CH 3 IC50 = 680.0 nM 495.66 C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(=O)NCCC(C)(C)C)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C Homo sapiens CHEMBL645668 assay format
CHEMBL4464131 OBDepict F N H O N O N IC50 = 1000.0 nM 337.35 O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cccc(F)c1 Homo sapiens CHEMBL4384517 cell-based format