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O43613 | OX1R_HUMAN | Orexin/Hypocretin receptor type 1 (HCRTR1)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_3 ]

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[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

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[ 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
CHEMBL3597953 OBDepict F O H N O N S CH 3 Ki = 0.06 nM 424.54 Cc1nc(C(=O)N2CCCC[C@H]2CCOc2ccc(F)cc2)c(-c2ccccc2)s1 Homo sapiens CHEMBL3598894 single protein format
CHEMBL3906374 OBDepict H 3 C N N O N N H O S IC50 = 0.1 nM 444.56 Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-c3cccs3)c2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3260826 OBDepict H 3 C N N O N N H CH 3 N N N O H 3 C Ki = 0.2 nM 431.5 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)coc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267681 cell-based format
CHEMBL3941085 OBDepict H 3 C N N O N N H O N S IC50 = 0.3 nM 445.55 Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-c3nccs3)c2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3260828 OBDepict H 3 C N N O N N H CH 3 N N N S H 3 C Ki = 0.3 nM 447.57 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)csc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267681 cell-based format
CHEMBL3981385 OBDepict H 3 C N N O N N H N N N IC50 = 0.3 nM 427.51 Cc1ccc(-n2nccn2)c(C(=O)N2CCCC[C@H]2Cc2cccc(-n3nccn3)c2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3770503 OBDepict CH 3 N N O N N H H 3 C H O H 3 C F Ki = 0.3 nM 422.5 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)c(C)c3)CC[C@H]2C)c1 Homo sapiens CHEMBL3772019 single protein format
CHEMBL3260835 OBDepict H 3 C N N O N N H CH 3 N N N NH 2 S H 3 C Ki = 0.3 nM 462.58 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4c(C)csc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267681 cell-based format
CHEMBL1272307 OBDepict F S N CH 3 N O H N H O O Ki = 0.3 nM 477.56 Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(-c2ccc(F)cc2)s1 Homo sapiens CHEMBL2416555 single protein format
CHEMBL3260836 OBDepict O N H H 3 C N N N N N N NH 2 S CH 3 Ki = 0.3 nM 448.56 Cc1csc2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc(N)c12 Homo sapiens CHEMBL3267681 cell-based format
CHEMBL1083357 OBDepict H 3 C N N O N N H CH 3 N N N Ki = 0.39 nM 427.51 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4ccccc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL1119822 cell-based format
CHEMBL3260833 OBDepict H 3 C N N O N N H CH 3 N N N NH 2 S H 3 C Ki = 0.4 nM 462.58 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4cc(C)sc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267681 cell-based format
CHEMBL3946479 OBDepict O N H N O CH 3 N N CH 3 CH 3 N N O IC50 = 0.4 nM 458.52 Cc1cc(C(=O)N2CCOC[C@H]2Cc2ccc(C)c(-c3ncon3)c2)c(-n2nccn2)cc1C Homo sapiens CHEMBL3887324 assay format
CHEMBL1172520 OBDepict F N N N H H N O N Cl N N Ki = 0.4 nM 463.9 O=C(c1cc(Cl)ccc1-n1nccn1)N1C[C@@H]2C[C@H](C1)N(c1ncc3cc(F)ccc3n1)C2 Homo sapiens CHEMBL1175134 single protein format
CHEMBL1093725 OBDepict F N N N N O N Cl N N Ki = 0.4 nM 463.9 O=C(c1cc(Cl)ccc1-n1nccn1)N1CC2CC(C1)N(c1ncc3cc(F)ccc3n1)C2 Homo sapiens CHEMBL1109765 single protein format
CHEMBL3394847 OBDepict CH 3 O N O H N H CH 3 O N N N Ki = 0.41 nM 443.51 COc1cnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc12 Homo sapiens CHEMBL3395399 single protein format
CHEMBL2413365 OBDepict H 3 C N N O N N H H 3 C H O N Ki = 0.5 nM 441.54 Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3nccc4ccccc34)[C@@H]2C)c1 Homo sapiens CHEMBL2416555 single protein format
CHEMBL3260827 OBDepict H 3 C N N O N N H CH 3 N N N O H 3 C H 3 C Ki = 0.5 nM 445.53 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)c(C)oc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267681 cell-based format
CHEMBL3260831 OBDepict H 3 C N N O N N H CH 3 N N N NH 2 S Ki = 0.5 nM 448.56 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4ccsc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267681 cell-based format
CHEMBL3945012 OBDepict H 3 C O S H N O O N N N IC50 = 0.5 nM 460.56 COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1cccs1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3917550 OBDepict H 3 C N N O N N H N N N IC50 = 0.5 nM 413.49 Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H]2Cc2cccc(-n3nccn3)c2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3934350 OBDepict O N H N O N N S IC50 = 0.5 nM 430.53 O=C(c1ccccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-c2cccs2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL1083659 OBDepict CH 3 N N O N N H H 3 C N O N Cl Ki = 0.55 nM 450.93 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1 Homo sapiens CHEMBL1119822 cell-based format
CHEMBL3235265 OBDepict OH H N H H 3 C O N CH 3 N N Ki = 0.56 nM 414.51 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccc(CO)c3)CC[C@H]2C)c1 Homo sapiens CHEMBL3240641 cell-based format
CHEMBL1170178 OBDepict H 3 C N N O N N H H N N N F Ki = 0.6 nM 457.51 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3CC[C@@H]2CCN3c2ncc3ccc(F)cc3n2)c1 Homo sapiens CHEMBL1175134 single protein format
CHEMBL1171594 OBDepict H 3 C N N O N N N N N F Ki = 0.6 nM 457.51 Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2CN(c2ncc4ccc(F)cc4n2)CC3)c1 Homo sapiens CHEMBL1175134 single protein format
CHEMBL3959904 OBDepict H 3 C O N N O H N O O N H 3 C N N IC50 = 0.7 nM 460.49 COc1ccc(C[C@@H]2COCCN2C(=O)c2cc(C)ccc2-n2nccn2)cc1-c1ncon1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3947761 OBDepict H 3 C O N N O H N O O N N N H 3 C IC50 = 0.7 nM 460.49 COc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(C)cc2-n2nccn2)cc1-c1ncon1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3260834 OBDepict CH 3 S N NH 2 N N N H H 3 C O N N N Ki = 0.7 nM 448.56 Cc1cc2c(N)nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc2s1 Homo sapiens CHEMBL3267681 cell-based format
CHEMBL272715 OBDepict O NH H N O N S N N CH 3 CH 3 Ki = 0.7 nM 473.6 Cc1ccc2c(c1)nc(SCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1)n2C Homo sapiens CHEMBL932893 cell-based format
CHEMBL3893504 OBDepict F N H N N N O O N CH 3 N N CH 3 IC50 = 0.7 nM 461.5 Cc1cc(C(=O)N2CCOC[C@H]2Cc2cc(-n3nccn3)ccc2F)c(-n2nccn2)cc1C Homo sapiens CHEMBL3887324 assay format
CHEMBL3938842 OBDepict Cl CH 3 N N O N N H O N N N IC50 = 0.7 nM 463.93 Cc1cc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)cc1Cl Homo sapiens CHEMBL3887324 assay format
CHEMBL3985942 OBDepict F N N N O N O N CH 3 N N IC50 = 0.7 nM 447.47 Cc1ccc(-n2nccn2)c(C(=O)N2CCCOC2Cn2ccc(-c3ccc(F)cn3)n2)c1 Homo sapiens CHEMBL3888031 assay format
CHEMBL1083657 OBDepict O N H CH 3 N N N N N N Ki = 0.78 nM 417.52 C[C@@H]1CCN(c2ncc3c(n2)CCCC3)CCN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL1119822 cell-based format
CHEMBL3946821 OBDepict F N N O N O N CH 3 N N IC50 = 0.8 nM 446.49 Cc1ccc(-n2nccn2)c(C(=O)N2CCCOC2Cn2cc(-c3ccc(F)cc3)cn2)c1 Homo sapiens CHEMBL3888031 assay format
CHEMBL3260824 OBDepict H 3 C N N O N N H CH 3 N N N N H 3 C N H 3 C Ki = 0.8 nM 445.53 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)nn(C)c4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267681 cell-based format
CHEMBL3983155 OBDepict F N N O N O N N H 3 C N N IC50 = 0.9 nM 433.45 Cc1ccc(-n2nccn2)c(C(=O)N2CCOC2Cn2ccc(-c3ccc(F)cc3)n2)n1 Homo sapiens CHEMBL3888031 assay format
CHEMBL3924228 OBDepict CH 3 N N N N O H H CH 3 O N N N IC50 = 0.9 nM 443.51 Cc1ccc(C(=O)N2[C@H](C)COC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL1170803 OBDepict CH 3 N N O N N N N N F Ki = 0.9 nM 457.51 Cc1ccc(-n2nccn2)c(C(=O)N2CCC3CCC(C2)N3c2ncc3ccc(F)cc3n2)c1 Homo sapiens CHEMBL1175134 single protein format
CHEMBL3260832 OBDepict O N H CH 3 N N N N N N H 2 N S Ki = 0.9 nM 434.53 C[C@@H]1CCN(c2nc(N)c3ccsc3n2)CCN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL3267681 cell-based format
CHEMBL3946019 OBDepict Cl N N N N O H H CH 3 O N N IC50 = 1.0 nM 474.95 C[C@@H]1CN(C(=O)c2ccc(Cl)cc2-n2nccn2)[C@H](Cc2cccc(-c3ncccn3)c2)CO1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3971859 OBDepict H 3 C N N O N N H O N IC50 = 1.0 nM 427.51 Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3cccc3)c2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3894723 OBDepict H 3 C N N O N N H H CH 3 O N N IC50 = 1.0 nM 454.53 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H](C)OC[C@H]2Cc2cccc(-c3ncccn3)c2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3910117 OBDepict H 3 C CH 3 N N O N N H H H 3 C O N N N IC50 = 1.0 nM 457.54 Cc1cc(C(=O)N2C[C@@H](C)OC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)cc1C Homo sapiens CHEMBL3887324 assay format
CHEMBL3905303 OBDepict O N H N N N N N N IC50 = 1.0 nM 413.49 O=C(c1ccccc1-n1nccn1)N1CCCC[C@H]1Cc1cccc(-n2nccn2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3907374 OBDepict O N H N O N N CH 3 N S IC50 = 1.0 nM 445.55 Cc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1nccs1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3913869 OBDepict CH 3 CH 3 N N O N N H O N N N IC50 = 1.0 nM 443.51 Cc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)cc1C Homo sapiens CHEMBL3887324 assay format
CHEMBL3944494 OBDepict CH 3 N O N N O N N F IC50 = 1.0 nM 457.51 Cc1ccc(-c2ncccn2)c(C(=O)N2CCCOC2Cn2ccc(-c3ccc(F)cc3)n2)c1 Homo sapiens CHEMBL3888031 assay format
CHEMBL3946888 OBDepict Cl N N N N O H O N N N IC50 = 1.0 nM 449.9 O=C(c1ccc(Cl)cc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3977023 OBDepict H 3 C O N N O H N O O N N N F IC50 = 1.0 nM 464.46 COc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(F)cc2-n2nccn2)cc1-c1ncon1 Homo sapiens CHEMBL3887324 assay format
CHEMBL2425785 OBDepict H 3 C O N O H 3 C N H N H O F N F Ki = 1.0 nM 440.45 COCc1nc(C)ncc1OC[C@@]1(c2cccc(F)c2)C[C@H]1C(=O)Nc1ccc(F)cn1 Homo sapiens CHEMBL2428738 cell-based format
CHEMBL3975507 OBDepict H 3 C O N N O H N O O N N N IC50 = 1.0 nM 446.47 COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncon1 Homo sapiens CHEMBL3887324 assay format
CHEMBL1089406 OBDepict F N N N N O N H 3 C N N Ki = 1.0 nM 431.48 Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4cc(F)ccc4n3)CC2)c1 Homo sapiens CHEMBL1109765 single protein format
CHEMBL3963262 OBDepict O N H N O CH 3 N N CH 3 N N O IC50 = 1.0 nM 444.5 Cc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncon3)c2)c(-n2nccn2)cc1C Homo sapiens CHEMBL3887324 assay format
CHEMBL3235249 OBDepict F N O H N H H 3 C O N CH 3 N N Ki = 1.0 nM 409.47 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1 Homo sapiens CHEMBL3240641 cell-based format
CHEMBL3912376 OBDepict H 3 C O N S H N O O N N N IC50 = 1.0 nM 461.55 COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1nccs1 Homo sapiens CHEMBL3887324 assay format
CHEMBL2413366 OBDepict CH 3 N N O N N H CH 3 H O N Ki = 1.0 nM 391.48 Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3ccccn3)[C@@H]2C)c1 Homo sapiens CHEMBL2416555 single protein format
CHEMBL3930099 OBDepict F O N N O N O N CH 3 N N IC50 = 1.1 nM 448.46 Cc1ccc(-n2nccn2)c(C(=O)N2CCCOC2Cc2noc(-c3ccc(F)cc3)n2)c1 Homo sapiens CHEMBL3888031 assay format
CHEMBL2413521 OBDepict CH 3 N S N O F H N O N T T Ki = 1.1 nM 452.54 [3H]c1cccc([3H])c1-c1nnc(C[C@@H]2CCCN2C(=O)c2nc(C)sc2-c2ccccc2F)o1 Homo sapiens CHEMBL2416555 single protein format
CHEMBL2110363 OBDepict CH 3 S N N O F H N O N Ki = 1.1 nM 448.52 Cc1nc(C(=O)N2CCC[C@H]2Cc2nnc(-c3ccccc3)o2)c(-c2ccccc2F)s1 Homo sapiens CHEMBL2416555 single protein format
CHEMBL3235253 OBDepict F N H N H H 3 C O N CH 3 N N Ki = 1.1 nM 403.46 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3ccc(F)cn3)CC[C@H]2C)c1 Homo sapiens CHEMBL3240641 cell-based format
CHEMBL469146 OBDepict H 3 C N N O N N N N N Ki = 1.2 nM 413.49 Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4ccccc4n3)CC2)c1 Homo sapiens CHEMBL973407 single protein format
CHEMBL3394848 OBDepict O N N N N H O F F N Ki = 1.3 nM 435.43 O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 Homo sapiens CHEMBL3395399 single protein format
CHEMBL3260830 OBDepict O N H H 3 C N N N N N N NH 2 O CH 3 Ki = 1.8 nM 432.49 Cc1coc2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc(N)c12 Homo sapiens CHEMBL3267681 cell-based format
CHEMBL4798102 OBDepict O N N N H O F F N Ki = 1.8 nM 408.41 O=C(c1cccn2ccnc12)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 Homo sapiens CHEMBL4731163 single protein format
CHEMBL3260829 OBDepict H 3 C N N O N N H CH 3 N N N NH 2 O H 3 C Ki = 1.8 nM 446.52 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4c(C)coc4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267681 cell-based format
CHEMBL1083041 OBDepict O N H CH 3 N N N N N N F F Ki = 1.8 nM 449.46 C[C@@H]1CCN(c2cnc3cc(F)c(F)cc3n2)CCN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL1119822 cell-based format
CHEMBL1083358 OBDepict F N N N N H H 3 C O N N N Ki = 1.8 nM 431.48 C[C@@H]1CCN(c2ncc3cc(F)ccc3n2)CCN1C(=O)c1ccccc1-n1nccn1 Homo sapiens CHEMBL1119822 cell-based format
CHEMBL3922611 OBDepict CH 3 N N O N N H O N N IC50 = 2.0 nM 440.51 Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncccn3)c2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3951681 OBDepict H 3 C N N O N N H O N N N IC50 = 2.0 nM 429.48 Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3982154 OBDepict H 3 C N N O N N H O N N IC50 = 2.0 nM 428.5 Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3cccn3)c2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3946411 OBDepict H 3 C O N O H N O O N N N IC50 = 2.0 nM 445.48 COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncco1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3909195 OBDepict Cl N N O N N H H CH 3 O N N IC50 = 2.0 nM 474.95 C[C@@H]1CN(C(=O)c2cc(Cl)ccc2-n2nccn2)[C@H](Cc2cccc(-c3ncccn3)c2)CO1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3931654 OBDepict CH 3 N N N N O H H H 3 C O N N IC50 = 2.0 nM 454.53 Cc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2Cc2cccc(-c3ncccn3)c2)c(-n2nccn2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3895786 OBDepict CH 3 N N N N O H O N N O IC50 = 2.0 nM 430.47 Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncon3)c2)c(-n2nccn2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3904485 OBDepict Cl N N N H N O O N N N CH 3 IC50 = 2.0 nM 463.93 Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(Cl)cc(-n3nccn3)c2)c(-n2nccn2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3913644 OBDepict CH 3 O N N O N N H O N N IC50 = 2.0 nM 456.51 COc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncccn3)c2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3921296 OBDepict O N H F N O CH 3 N N N N IC50 = 2.0 nM 446.49 Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3cccn3)c2)c1F Homo sapiens CHEMBL3887324 assay format
CHEMBL3691851 OBDepict F N O N N HN N F F F Ki = 2.0 nM 457.43 O=C(c1cc(F)ccc1-c1ncccn1)N1CC2CC(Nc3ccc(C(F)(F)F)cn3)C1C2 Homo sapiens CHEMBL3707648 cell-based format
CHEMBL3915416 OBDepict CH 3 N N N N O H H CH 3 O N N N IC50 = 2.0 nM 443.51 Cc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL1171595 OBDepict H 3 C N N O N N H H N N N F Ki = 2.0 nM 457.51 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CC[C@H]2CN(c2ncc4ccc(F)cc4n2)C3)c1 Homo sapiens CHEMBL1175134 single protein format
CHEMBL3892369 OBDepict CH 3 N N N N O H O N N N IC50 = 2.0 nM 429.48 Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3959470 OBDepict O N H N O N N F F F N N N IC50 = 2.0 nM 483.45 O=C(c1ccc(C(F)(F)F)cc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL255763 OBDepict O NH H N O N S N N H 3 C CH 3 Ki = 2.0 nM 473.6 Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)n(C)c2c1 Homo sapiens CHEMBL932893 cell-based format
CHEMBL3933467 OBDepict CH 3 N N N N O H O N N N IC50 = 2.0 nM 429.48 Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c1-n1nccn1 Homo sapiens CHEMBL3887324 assay format
CHEMBL469147 OBDepict H 3 C N N O N N N Ki = 2.0 nM 411.51 Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ccc4ccccc4c3)CC2)c1 Homo sapiens CHEMBL973407 single protein format
CHEMBL3585957 OBDepict O HN H N O CH 3 F F N CH 3 N H 3 C Ki = 2.0 nM 424.45 Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c(C)n1 Homo sapiens CHEMBL3588583 single protein format
CHEMBL3895130 OBDepict CH 3 N N N N O H O N CH 3 N N IC50 = 2.0 nM 443.51 Cc1ccc(C(=O)N2CCOC[C@H]2Cc2ccc(C)c(-n3nccn3)c2)c(-n2nccn2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3260823 OBDepict H 3 C N N O N N H CH 3 N N N N H 3 C N Ki = 2.0 nM 431.5 Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4cnn(C)c4n3)CC[C@H]2C)c1 Homo sapiens CHEMBL3267681 cell-based format
CHEMBL3921658 OBDepict H 3 C N N O N N H H CH 3 O F N N N IC50 = 2.0 nM 461.5 Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H](C)OC[C@H]2Cc2cc(-n3nccn3)ccc2F)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3967251 OBDepict O N H N O N N N S IC50 = 2.0 nM 431.52 O=C(c1ccccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-c2nccs2)c1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3940700 OBDepict Cl N N O N N H H CH 3 O N N N IC50 = 2.0 nM 463.93 C[C@@H]1CN(C(=O)c2cc(Cl)ccc2-n2nccn2)[C@H](Cc2cccc(-n3nccn3)c2)CO1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3909224 OBDepict Cl N N N N O H H CH 3 O N N N IC50 = 2.0 nM 463.93 C[C@@H]1CN(C(=O)c2ccc(Cl)cc2-n2nccn2)[C@H](Cc2cccc(-n3nccn3)c2)CO1 Homo sapiens CHEMBL3887324 assay format
CHEMBL3946045 OBDepict Cl N N N N O H O F N N O IC50 = 2.0 nM 468.88 O=C(c1ccc(Cl)cc1-n1nccn1)N1CCOC[C@H]1Cc1cc(-c2ncon2)ccc1F Homo sapiens CHEMBL3887324 assay format
CHEMBL3968480 OBDepict F H N N N O O O N H 3 C N N CH 3 IC50 = 2.0 nM 462.49 Cc1cc(C(=O)N2CCOC[C@H]2Cc2cc(-c3ncon3)ccc2F)c(-n2nccn2)cc1C Homo sapiens CHEMBL3887324 assay format
CHEMBL3893150 OBDepict F O N N O N O N N CH 3 N N IC50 = 2.1 nM 449.45 Cc1ccc(-n2nccn2)c(C(=O)N2CCCOC2Cc2noc(-c3ccc(F)cc3)n2)n1 Homo sapiens CHEMBL3888031 assay format
CHEMBL3935731 OBDepict F N O N N O N N N F IC50 = 2.2 nM 462.46 O=C(c1cc(F)ccc1-c1ncccn1)N1CCCOC1Cn1ccc(-c2ccc(F)cn2)n1 Homo sapiens CHEMBL3888031 assay format
CHEMBL1091110 OBDepict H 3 C N N O N N N N N Ki = 2.3 nM 425.5 Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC(C2)N(c2ncc4ccccc4n2)C3)c1 Homo sapiens CHEMBL1109765 single protein format
CHEMBL3907843 OBDepict F N N O N O N N CH 3 N N IC50 = 2.4 nM 447.47 Cc1ccc(-n2nccn2)c(C(=O)N2CCCOC2Cn2ccc(-c3ccc(F)cc3)n2)n1 Homo sapiens CHEMBL3888031 assay format
CHEMBL2107822 OBDepict CH 3 N O N N H H 3 C H O N F Ki = 2.5 nM 420.49 Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1 Homo sapiens CHEMBL2416555 single protein format