HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q9HCR9 | PDE11_HUMAN | "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A" (PDE11A)

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
CHEMBL282515 OBDepict O N N H H O H N N H O O N N CH 3 IC50 = 1.4 nM 552.64 Cn1ccnc1CCN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL284070 OBDepict O N H N H O N H N H O N O IC50 = 2.01 nM 549.63 O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(CCc2ccccn2)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL33518 OBDepict O N H N H O N H N H O O N IC50 = 2.4 nM 549.63 O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(CCc2cccnc2)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL4217054 OBDepict CH 3 S H N N N N H O N IC50 = 2.7 nM 451.56 CCc1ccc([C@@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncc(-c3ccccn3)cn2)s1 Homo sapiens CHEMBL4198223 cell-based format
CHEMBL418594 OBDepict O N N H H O H N N H O O N N H IC50 = 3.5 nM 538.61 O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(CCc2ncc[nH]2)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL4292389 OBDepict CH 3 N O N O H H O N H CH 3 IC50 = 4.0 nM 349.39 CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(C)o3)N2C1=O Homo sapiens CHEMBL4268482 cell-based format
CHEMBL33121 OBDepict O N H N H O N H N H O N O N IC50 = 4.2 nM 550.62 O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(CCc2cnccn2)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL285737 OBDepict H 3 C HN O N H N O O N H H N H O O IC50 = 4.3 nM 543.62 CCNC(=O)CCN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL286309 OBDepict O N H N H O N H N H O N O O IC50 = 4.7 nM 555.64 O=C(CCN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)OCO4)C2=O)C1)N1CCC1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL33627 OBDepict H 3 C N CH 3 O N H N O O N H H N H O O IC50 = 4.7 nM 543.62 CN(C)C(=O)CCN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL4217579 OBDepict CH 3 O H N N N N H O N IC50 = 5.1 nM 435.49 CCc1ccc([C@@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncc(-c3ccccn3)cn2)o1 Homo sapiens CHEMBL4198223 cell-based format
CHEMBL32255 OBDepict O N N H H O H N N H O O IC50 = 5.5 nM 534.62 O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(Cc2ccccc2)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL34744 OBDepict H 3 C H N N H O H N O H N IC50 = 6.5 nM 504.63 Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CCN(Cc5ccccc5)C4)CC(=O)N32)cc1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL34276 OBDepict H 3 C O H N N H O H N O H N IC50 = 6.7 nM 520.63 COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CCN(Cc5ccccc5)C4)CC(=O)N32)cc1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL284560 OBDepict H 3 C O H N N H O H N O H N IC50 = 11.8 nM 520.63 COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CCN(Cc5ccccc5)C4)CC(=O)N32)c1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL34802 OBDepict CH 3 O N H N O O N H H N H O O IC50 = 22.0 nM 516.6 COCCCN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL33381 OBDepict CH 3 N H N O O N H H N H O O IC50 = 31.0 nM 514.63 CCCCCN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL4128481 OBDepict CH 3 O O N CH 3 N N H H 3 C H N N H CH 3 IC50 = 34.7 nM 327.39 COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC Homo sapiens CHEMBL4122476 single protein format
CHEMBL779 OBDepict CH 3 N O O N H H N H O O IC50 = 37.0 nM 389.41 CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O Homo sapiens CHEMBL759930 cell-based format
CHEMBL4218772 OBDepict CH 3 O N H HO O O N H N S O O IC50 = 39.0 nM 491.53 COCCNc1cc(O)c2c(=O)c3c(-c4nccs4)[nH]c(Cc4ccc5c(c4)OCO5)c3oc2c1 Homo sapiens CHEMBL4200917 assay format
CHEMBL34169 OBDepict OH N H N N H O H N O H N IC50 = 39.0 nM 507.59 O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(O)nc3)N2C(=O)CN1[C@@H]1CCN(Cc2ccccc2)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL33944 OBDepict O N H N H O N H N H O O IC50 = 43.0 nM 512.61 O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(CCC2CC2)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL33147 OBDepict H 2 N O N H N O O N H H N H O O IC50 = 48.0 nM 515.57 NC(=O)CCN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL284627 OBDepict CH 3 N H 3 C O N H N O O N H H N H O O IC50 = 48.0 nM 543.62 CN(C)CC(=O)CN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL3979441 OBDepict H 3 C S N N N S N CH 3 CH 3 O IC50 = 50.0 nM 370.5 CCCSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12 Homo sapiens CHEMBL3887436 single protein format
CHEMBL284594 OBDepict CH 3 N CH 3 N O O N H H N H O O IC50 = 53.0 nM 446.51 CN(C)CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O Homo sapiens CHEMBL759930 cell-based format
CHEMBL567470 OBDepict CH 3 O N O N N H N H N O H OH CH 3 IC50 = 64.1 nM 453.54 CCCOCCn1c(=O)c(N[C@H]2CC[C@H](O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1045406 single protein format
CHEMBL1085374 OBDepict CH 3 N N H 3 C N N N H S O O O CH 3 CH 3 IC50 = 68.6 nM 349.42 CCCc1nc(C)c2c(NS(C)(=O)=O)nc3ccc(OC)nc3n12 Homo sapiens CHEMBL1120091 single protein format
CHEMBL284535 OBDepict H 3 C O CH 3 H N N H O H N O H N IC50 = 71.0 nM 534.66 COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CCN(Cc5ccccc5)C4)CC(=O)N32)cc1C Homo sapiens CHEMBL759930 cell-based format
CHEMBL4244897 OBDepict CH 3 N O O N CH 3 H N H O O IC50 = 73.0 nM 403.44 CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@]2(C)C1=O Homo sapiens CHEMBL4231525 cell-based format
CHEMBL284059 OBDepict O N N H H O H N N H O O IC50 = 85.0 nM 534.62 O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@H]1CCN(Cc2ccccc2)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL4289291 OBDepict CH 3 O H N N H O N H O CH 3 IC50 = 99.0 nM 363.42 CCc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC)C(=O)N23)o1 Homo sapiens CHEMBL4268482 cell-based format
CHEMBL1650866 OBDepict H 3 C N O O N H H N Cl H Cl IC50 = 104.0 nM 428.32 CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O Homo sapiens CHEMBL1664621 single protein format
CHEMBL2132713 OBDepict F N N N N H CH 3 IC50 = 110.0 nM 394.45 Cc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 Homo sapiens CHEMBL3887436 single protein format
CHEMBL34628 OBDepict H 2 C N H N O O N H H N H O O IC50 = 118.0 nM 498.58 C=CCCN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL4281590 OBDepict CH 3 O H N N H O H N O CH 3 IC50 = 119.0 nM 363.42 CCc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N23)o1 Homo sapiens CHEMBL4268482 cell-based format
CHEMBL251107 OBDepict NH 2 O N N O N O N CH 3 O NH F F F IC50 = 130.0 nM 580.57 COc1ccc(-c2nc(C(=O)N3CCC4(CC3)C(=O)NCN4c3ccccc3)c(CN)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL940741 single protein format
CHEMBL1520 OBDepict H 3 C O N N S H N N O O N H 3 C O N CH 3 CH 3 IC50 = 130.0 nM 488.61 CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 Homo sapiens CHEMBL876977 single protein format
CHEMBL1778033 OBDepict H 3 C N O N N N N IC50 = 140.0 nM 487.61 CCN1C(=O)c2nc(Cc3ccccc3)n(Cc3ccccc3)c2N2CC3(CCc4ccccc43)N=C12 Homo sapiens CHEMBL1781389 single protein format
CHEMBL2094921 OBDepict O N H NH N N H 3 C O IC50 = 150.0 nM 370.41 Cn1c(NC(=O)c2ccccc2NC(=O)c2ccccc2)nc2ccccc21 Homo sapiens CHEMBL3887436 single protein format
CHEMBL4287438 OBDepict H 3 C S N N N N H O O O CH 3 H 3 C IC50 = 153.0 nM 510.62 CCc1ccc(C2c3[nH]c4ccccc4c3C(=O)CN2c2ncc(-c3ccc(OC)c(OC)c3)cn2)s1 Homo sapiens CHEMBL4268482 cell-based format
CHEMBL4285199 OBDepict CH 3 N O N O H H S N H 3 C H IC50 = 155.0 nM 365.46 CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3sccc3C)N2C1=O Homo sapiens CHEMBL4268482 cell-based format
CHEMBL4281081 OBDepict CH 3 S H N N H O N H O CH 3 IC50 = 169.0 nM 379.49 CCc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC)C(=O)N23)s1 Homo sapiens CHEMBL4268482 cell-based format
CHEMBL4278136 OBDepict CH 3 S H N N H O H N O CH 3 IC50 = 173.0 nM 365.46 Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N23)s1 Homo sapiens CHEMBL4268482 cell-based format
CHEMBL3972355 OBDepict H 3 C N O H 3 C N CH 3 N N S CH 3 IC50 = 180.0 nM 404.54 CCN(CC)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1C Homo sapiens CHEMBL3887436 single protein format
CHEMBL3985042 OBDepict N H N N N IC50 < 200.0 nM 362.44 c1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 Homo sapiens CHEMBL3887436 single protein format
CHEMBL3980055 OBDepict CH 3 O N H N N N F IC50 < 200.0 nM 410.45 COc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 Homo sapiens CHEMBL3887436 single protein format
CHEMBL3909893 OBDepict CH 3 N H N N N IC50 < 200.0 nM 376.46 Cc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 Homo sapiens CHEMBL3887436 single protein format
CHEMBL4289471 OBDepict Br S H N N H O H N O CH 3 IC50 = 219.0 nM 430.33 CN1CC(=O)N2[C@H](c3ccc(Br)s3)c3[nH]c4ccccc4c3C[C@@H]2C1=O Homo sapiens CHEMBL4268482 cell-based format
CHEMBL4278921 OBDepict CH 3 O O CH 3 N N N H O F F F Cl Cl N IC50 = 245.0 nM 473.24 COc1ccc(-c2nc(C(F)(F)F)ncc2C(=O)Nc2c(Cl)cncc2Cl)cc1OC Homo sapiens CHEMBL4255148 single protein format
CHEMBL4282274 OBDepict CH 3 O O CH 3 N N N H O F F F N IC50 = 250.0 nM 404.35 COc1ccc(-c2nc(C(F)(F)F)ncc2C(=O)Nc2ccncc2)cc1OC Homo sapiens CHEMBL4255148 single protein format
CHEMBL4286052 OBDepict CH 3 S H N N H O H N O CH 3 IC50 = 272.0 nM 379.49 CCc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N23)s1 Homo sapiens CHEMBL4268482 cell-based format
CHEMBL3928332 OBDepict CH 3 S N N O S IC50 = 280.0 nM 304.44 CCCSc1nc2c(c(=O)n1-c1ccccc1)SCC2 Homo sapiens CHEMBL3887436 single protein format
CHEMBL4067682 OBDepict CH 3 O F N S O N N N N O IC50 = 280.0 nM 483.57 COc1ccc(Cn2c(=O)n3ncnc3c3c4c(sc32)CN(CC2CCOCC2)CC4)c(F)c1 Homo sapiens CHEMBL4011532 cell-based format
CHEMBL3739783 OBDepict H 3 C O N N H 3 C N N H 3 C F N IC50 = 286.0 nM 399.43 COc1cc(-c2ccc(F)nc2)cc2c1nc(C)c1c(C)nc(-c3cccnc3)n12 Homo sapiens CHEMBL3742955 single protein format
CHEMBL3742354 OBDepict H 3 C O N N H 3 C N N H 3 C N IC50 = 286.0 nM 381.44 COc1cc(-c2cccnc2)cc2c1nc(C)c1c(C)nc(-c3cccnc3)n12 Homo sapiens CHEMBL3742955 single protein format
CHEMBL1650673 OBDepict CH 3 N O N O H H N Cl H Cl IC50 = 310.0 nM 414.29 CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)N2C1=O Homo sapiens CHEMBL1664622 single protein format
CHEMBL3974407 OBDepict O N N S N O IC50 = 330.0 nM 295.32 O=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1 Homo sapiens CHEMBL3887436 single protein format
CHEMBL551052 OBDepict CH 3 O N O N H N N N N O O CH 3 IC50 = 346.0 nM 468.56 CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2cnc(-c3ccc(OC)nc3)cc21 Homo sapiens CHEMBL1045406 single protein format
CHEMBL4291228 OBDepict CH 3 N O N O H H S N H H 3 C IC50 = 386.0 nM 407.54 CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(CC)s3)N2C1=O Homo sapiens CHEMBL4268482 cell-based format
CHEMBL3741492 OBDepict CH 3 O N N CH 3 N N CH 3 N F IC50 = 395.0 nM 399.43 COc1cc(-c2cccnc2)cc2c1nc(C)c1c(C)nc(-c3ccc(F)nc3)n12 Homo sapiens CHEMBL3742955 single protein format
CHEMBL932 OBDepict OH N N N OH N N N N N HO HO Ki = 400.0 nM 504.64 OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 Homo sapiens CHEMBL828812 single protein format
CHEMBL3955950 OBDepict CH 3 S N N O S IC50 = 400.0 nM 318.47 CCCCSc1nc2c(c(=O)n1-c1ccccc1)SCC2 Homo sapiens CHEMBL3887436 single protein format
CHEMBL3741207 OBDepict CH 3 O N N CH 3 N N CH 3 N F IC50 = 413.0 nM 399.43 COc1cc(-c2ccncc2)cc2c1nc(C)c1c(C)nc(-c3ccc(F)nc3)n12 Homo sapiens CHEMBL3742955 single protein format
CHEMBL3741573 OBDepict H 3 C O N N H 3 C N N H 3 C F N IC50 = 457.0 nM 399.43 COc1cc(-c2cccnc2)cc2c1nc(C)c1c(C)nc(-c3cccnc3F)n12 Homo sapiens CHEMBL3742955 single protein format
CHEMBL4284354 OBDepict CH 3 O O N H CH 3 O N N N S CH 3 O IC50 = 480.0 nM 390.47 COc1ccc(NC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC Homo sapiens CHEMBL4255148 single protein format
CHEMBL3741950 OBDepict CH 3 O N Br N H 3 C N H 3 C F N IC50 = 494.0 nM 401.24 COc1cc(Br)cc2c1nc(C)c1c(C)nc(-c3cccnc3F)n12 Homo sapiens CHEMBL3742955 single protein format
CHEMBL3897311 OBDepict CH 3 N N N N H CH 3 IC50 = 500.0 nM 390.49 Cc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4C)ncnc32)cc1 Homo sapiens CHEMBL3887436 single protein format
CHEMBL437020 OBDepict NH 2 O N N O N O OH CH 3 F F F IC50 = 500.0 nM 526.52 COc1ccc(-c2nc(C(=O)N3CCC(O)(c4ccccc4)CC3)c(CN)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL940741 single protein format
CHEMBL373102 OBDepict H 3 C N N N O N H N Br OH IC50 = 540.0 nM 480.37 CCN1C(=O)c2c(nc(Br)n2Cc2ccc(O)cc2)N2C[C@@H](Cc3ccccc3)N=C12 Homo sapiens CHEMBL876977 single protein format
CHEMBL4871796 OBDepict F N N N O N CH 3 H H CH 3 CH 3 CH 3 H 3 C IC50 = 600.0 nM 356.45 Cc1nc2c([C@H](C)c3ccc(C(C)(C)C)cc3)nn(CCF)c2c(=O)[nH]1 Homo sapiens CHEMBL4836302 single protein format
CHEMBL249691 OBDepict H 2 N O N N O N N O CH 3 O O F F F H 3 C CH 3 H 3 C IC50 = 600.0 nM 535.52 COc1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(CN)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL940741 single protein format
CHEMBL4292970 OBDepict H 3 C O N N N N H O O O CH 3 H 3 C IC50 = 634.0 nM 494.55 CCc1ccc(C2c3[nH]c4ccccc4c3C(=O)CN2c2ncc(-c3ccc(OC)c(OC)c3)cn2)o1 Homo sapiens CHEMBL4268482 cell-based format
CHEMBL4283606 OBDepict CH 3 O O CH 3 N H O N N N S H 3 C O IC50 = 659.0 nM 418.52 COc1ccc(CCNC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC Homo sapiens CHEMBL4255148 single protein format
CHEMBL1086110 OBDepict CH 3 N N CH 3 N N CH 3 O H 3 C IC50 = 779.0 nM 270.34 CCCc1nc(C)c2c(C)nc3ccc(OC)nc3n12 Homo sapiens CHEMBL1120091 single protein format
CHEMBL4284224 OBDepict CH 3 O H N N H O N H O CH 3 IC50 = 802.0 nM 363.42 CCc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC)C(=O)N32)o1 Homo sapiens CHEMBL4268482 cell-based format
CHEMBL399298 OBDepict NH 2 O N N O N H N H O CH 3 O O F F F CH 3 H 3 C CH 3 IC50 = 820.0 nM 535.52 COc1ccc(-c2nc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)c(CN)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL940741 single protein format
CHEMBL2012216 OBDepict NH 2 O N N H O N O O H 3 C CH 3 F F F IC50 = 870.0 nM 486.45 COc1ccccc1CNC(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1CN Homo sapiens CHEMBL2015122 single protein format
CHEMBL284719 OBDepict O N H N O N H N H O O IC50 = 950.0 nM 520.59 O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1C1CN(Cc2ccccc2)C1 Homo sapiens CHEMBL759930 cell-based format
CHEMBL2431826 OBDepict N N N N N H 3 C H N IC50 = 963.0 nM 376.42 C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12 Homo sapiens CHEMBL2433328 single protein format
CHEMBL401345 OBDepict NH 2 O N N O N N O H 3 C N N F F F O O H 3 C CH 3 IC50 = 970.0 nM 573.53 COc1cc(OC)nc(N2CCN(C(=O)c3nc(-c4ccc(OC)c5nc(C(F)(F)F)ccc45)oc3CN)CC2)n1 Homo sapiens CHEMBL940741 single protein format
CHEMBL3890474 OBDepict CH 3 O N N N N H CH 3 IC50 = 1000.0 nM 406.49 COc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4C)ncnc32)cc1 Homo sapiens CHEMBL3887436 single protein format
CHEMBL284745 OBDepict H 3 C O O H 3 C H N N H O H N O H N IC50 = 1000.0 nM 550.66 COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CCN(Cc5ccccc5)C4)CC(=O)N32)cc1OC Homo sapiens CHEMBL759930 cell-based format
CHEMBL1365766 OBDepict F N N N N H IC50 < 1000.0 nM 408.48 Fc1ccc(-n2cc(-c3ccccc3)c3c(NCCc4ccccc4)ncnc32)cc1 Homo sapiens CHEMBL3887436 single protein format
CHEMBL250137 OBDepict NH 2 O N N O N N O CH 3 O F F F N N H CH 3 IC50 = 1000.0 nM 543.51 COc1ccc(-c2nc(C(=O)N3CCN(C(=O)c4cc(C)[nH]n4)CC3)c(CN)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL940741 single protein format