HOME LIGAND hPROTEOME OTHERS DOCUMENT

P03372 | ESR1_HUMAN | Estrogen receptor (ESR1)

3D structures mapped by conservation among orthologs

[ Domain: "Nuclear receptor ligand-binding domain" // Hormone_recep_1 ]

download pymol session

[ Domain: "Nuclear receptor ligand-binding domain" // Hormone_recep ]

download pymol session

[ Domain: "LIM domain-like" // zf-C4 ]

download pymol session



[ 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
CHEMBL42707 OBDepict OH S O HO O N IC50 < 0.002 nM 473.59 O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cccc(O)c12 Homo sapiens CHEMBL4132005 cell-based format
CHEMBL4591338 OBDepict F N O H O Cl HO OH IC50 = 0.01 nM 481.95 Oc1cccc(C2=C(Cl)c3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC(CF)C3)cc2)c1 Homo sapiens CHEMBL4390558 cell-based format
CHEMBL4439408 OBDepict F N O O O OH HO IC50 = 0.024 nM 489.54 Oc1ccc2c(c1)OCCC1=C2C(c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4424724 cell-based format
CHEMBL4441471 OBDepict F N O H O CH 3 Cl OH F IC50 = 0.03 nM 497.97 CC1=C(c2ccc(F)cc2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)c(Cl)c21 Homo sapiens CHEMBL4390558 cell-based format
CHEMBL4464224 OBDepict F N O O O OH HO IC50 = 0.045 nM 489.54 Oc1ccc2c(c1)OC(c1ccc(OCCN3CC(CF)C3)cc1)C1=C2CCOc2cc(O)ccc21 Homo sapiens CHEMBL4424724 cell-based format
CHEMBL1193539 OBDepict HO S O Cl O N IC50 = 0.046 nM 492.04 O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(Cl)cc2)sc2cc(O)ccc12 Homo sapiens CHEMBL4132005 cell-based format
CHEMBL4455953 OBDepict F N O H O CH 3 HO OH IC50 = 0.05 nM 461.53 CC1=C(c2cccc(O)c2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2c(O)cccc21 Homo sapiens CHEMBL4390558 cell-based format
CHEMBL4650316 OBDepict F N N H F F H N N H H H 3 C F F HO IC50 = 0.05 nM 522.56 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO Homo sapiens CHEMBL4827352 cell-based format
CHEMBL4449709 OBDepict F H N H 3 C H O O O HO OH IC50 = 0.051 nM 517.6 C[C@@H](COc1ccc(C2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1)N1CC[C@@H](CF)C1 Homo sapiens CHEMBL4424724 cell-based format
CHEMBL4649161 OBDepict F N O F F H N N H H H 3 C F CH 3 H 3 C IC50 = 0.053 nM 503.58 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F Homo sapiens CHEMBL4619351 cell-based format
CHEMBL4437985 OBDepict F N O H O O OH HO IC50 = 0.055 nM 489.54 Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CC(CF)C3)cc1)C1=C2CCOc2cc(O)ccc21 Homo sapiens CHEMBL4424724 cell-based format
CHEMBL4464058 OBDepict F N O H O O OH HO IC50 = 0.059 nM 489.54 Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CC(CF)C3)cc1)C1=C2CCOc2cc(O)ccc21 Homo sapiens CHEMBL4424724 cell-based format
CHEMBL4866043 OBDepict F N N H F F H N N H H H 3 C F F HO F IC50 = 0.06 nM 540.55 C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO Homo sapiens CHEMBL4827352 cell-based format
CHEMBL149791 OBDepict H 3 C OH OH IC50 = 0.06 nM 316.4 CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1 Homo sapiens CHEMBL4393300 single protein format
CHEMBL4635493 OBDepict H 3 C N O F F H N N H H H 3 C F H 3 C H 3 C IC50 = 0.065 nM 485.59 CCCN1CC(Oc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1 Homo sapiens CHEMBL4619351 cell-based format
CHEMBL4463541 OBDepict F N O H O CH 3 OH IC50 = 0.07 nM 451.58 CC1=C(C2CCCCC2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4390558 cell-based format
CHEMBL4856969 OBDepict HO N N H F F H N N H H H 3 C F F HO IC50 = 0.07 nM 520.57 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCO)C3)cc2F)N1CC(F)(F)CO Homo sapiens CHEMBL4827352 cell-based format
CHEMBL4539802 OBDepict F H N O O O HO OH IC50 = 0.076 nM 503.57 Oc1ccc2c(c1)OC(c1ccc(OCCN3CC[C@@H](CF)C3)cc1)C1=C2CCOc2cc(O)ccc21 Homo sapiens CHEMBL4424724 cell-based format
CHEMBL4594150 OBDepict F N O H O CH 3 N N H OH IC50 = 0.08 nM 435.5 CC1=C(c2cn[nH]c2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4390558 cell-based format
CHEMBL4856892 OBDepict HO N O F F H N N H H H 3 C F F HO IC50 = 0.08 nM 521.56 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCO)C3)cc2F)N1CC(F)(F)CO Homo sapiens CHEMBL4827352 cell-based format
CHEMBL4646522 OBDepict HC N O F F H N N H H H 3 C F H 3 C H 3 C IC50 = 0.083 nM 481.56 C#CCN1CC(Oc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1 Homo sapiens CHEMBL4619351 cell-based format
CHEMBL4648503 OBDepict F F N O F F H N N H H H 3 C F H 3 C CH 3 IC50 = 0.09 nM 521.57 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(C(F)F)C3)cc2F)N1CC(C)(C)F Homo sapiens CHEMBL4619351 cell-based format
CHEMBL4864829 OBDepict H 3 C N HN F F H N N H H H 3 C F F HO IC50 = 0.09 nM 504.57 CCCN1CC(Nc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(F)(F)CO)c(F)c2)C1 Homo sapiens CHEMBL4827352 cell-based format
CHEMBL4869698 OBDepict HO F F N H H 3 C H N F F H NH N F F IC50 = 0.09 nM 540.55 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCC(F)F)C3)cc2F)N1CC(F)(F)CO Homo sapiens CHEMBL4827352 cell-based format
CHEMBL4845726 OBDepict F N N H F F H N N H H H 3 C F F OH F IC50 = 0.09 nM 540.55 C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO Homo sapiens CHEMBL4827352 cell-based format
CHEMBL4644486 OBDepict F H N O F F H N N H H CH 3 F CH 3 H 3 C IC50 = 0.09 nM 517.61 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC[C@@H](CF)C3)cc2F)N1CC(C)(C)F Homo sapiens CHEMBL4619351 cell-based format
CHEMBL243970 OBDepict HO S O O CH 3 H 3 C N Ki = 0.091 nM 487.67 CC(C)c1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 Homo sapiens CHEMBL889118 single protein format
CHEMBL4871161 OBDepict F N O F F H N N H H CH 3 F F HO IC50 = 0.1 nM 523.55 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)(F)CO Homo sapiens CHEMBL4827352 cell-based format
CHEMBL4563316 OBDepict F N O O CH 3 OH OH IC50 = 0.1 nM 489.59 CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CCC(CF)CC3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4333839 cell-based format
CHEMBL4164133 OBDepict OH CH 3 H O OH O N CH 3 H H H 3 C IC50 = 0.1 nM 471.6 CC1=C(c2cccc(O)c2)[C@H](c2ccc(OC[C@H](C)N3CC[C@@H](C)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4151744 cell-based format
CHEMBL4435067 OBDepict F H N O O CH 3 OH OH IC50 = 0.1 nM 475.56 CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CC[C@@H](CF)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4333839 cell-based format
CHEMBL4164869 OBDepict OH O CH 3 HO O N H 3 C H H CH 3 IC50 = 0.1 nM 471.6 CC1=C(c2ccc(O)cc2)C(c2ccc(OC[C@H](C)N3CC[C@@H](C)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4151744 cell-based format
CHEMBL4438260 OBDepict F N O H O CH 3 OH F IC50 = 0.1 nM 463.52 CC1=C(c2ccc(F)cc2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4333839 cell-based format
CHEMBL4453442 OBDepict F H N CH 3 H O H O H 3 C HO OH IC50 = 0.1 nM 489.59 CC1=C(c2cccc(O)c2)[C@H](c2ccc(OC[C@H](C)N3CC[C@@H](CF)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4333839 cell-based format
CHEMBL4447340 OBDepict F N O H O CH 3 OH OH IC50 = 0.1 nM 461.53 CC1=C(c2cccc(O)c2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4333839 cell-based format
CHEMBL691 OBDepict CH OH CH 3 H H H HO Ki = 0.128 nM 296.41 C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C Homo sapiens CHEMBL1909145 cell-based format
CHEMBL4065838 OBDepict OH N O OH HO Ki = 0.13 nM 473.61 O=C(/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)N(CCO)CCO Homo sapiens CHEMBL4013737 single protein format
CHEMBL4857736 OBDepict F N O F F H N N H H H 3 C F F HO IC50 = 0.13 nM 523.55 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO Homo sapiens CHEMBL4827352 cell-based format
CHEMBL4644074 OBDepict H 2 C N O F F H N N H H H 3 C F H 3 C H 3 C IC50 = 0.15 nM 483.58 C=CCN1CC(Oc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1 Homo sapiens CHEMBL4619351 cell-based format
CHEMBL4877338 OBDepict F N N H F F H N N H H H 3 C F F HO F IC50 = 0.15 nM 540.55 C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO Homo sapiens CHEMBL4827352 cell-based format
CHEMBL195515 OBDepict H 3 C OH O HO IC50 = 0.15 nM 370.45 CC/C(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)O)cc1)c1ccccc1 Homo sapiens CHEMBL3429910 single protein format
CHEMBL335465 OBDepict OH N Ki = 0.15 nM 273.34 O/N=C/c1ccc(-c2ccccc2)c(-c2ccccc2)c1 Homo sapiens CHEMBL677876 single protein format
CHEMBL4860671 OBDepict F N NH O F F H N N H H H 3 C F F HO IC50 = 0.16 nM 536.55 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC(=O)CN3CC(CF)C3)cc2F)N1CC(F)(F)CO Homo sapiens CHEMBL4827352 cell-based format
CHEMBL4786058 OBDepict N Cl CH 3 N H O OH IC50 = 0.16 nM 452.94 CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1C#N Homo sapiens CHEMBL4703592 single protein format
CHEMBL4853118 OBDepict F N N H F F H N N H H H 3 C F F O H 3 C IC50 = 0.16 nM 536.59 COCC(F)(F)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(NC2CN(CCCF)C2)cc1F Homo sapiens CHEMBL4827352 cell-based format
CHEMBL4755196 OBDepict CH 3 N CH 3 H O OH IC50 = 0.17 nM 407.51 CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccccc1C Homo sapiens CHEMBL4703592 single protein format
CHEMBL4785851 OBDepict CH 3 N H N F O OH IC50 = 0.17 nM 436.49 CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1cccc(F)c1C#N Homo sapiens CHEMBL4703592 single protein format
CHEMBL4447143 OBDepict F N O H O CH 3 OH F F IC50 = 0.17 nM 487.56 CC1=C(C2CCC(F)(F)CC2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4390558 cell-based format
CHEMBL4778779 OBDepict N Cl CH 3 N H O OH IC50 = 0.17 nM 452.94 CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(C#N)cc1Cl Homo sapiens CHEMBL4703592 single protein format
CHEMBL4641732 OBDepict Cl N O F F H N N H H H 3 C F CH 3 H 3 C IC50 = 0.17 nM 520.04 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCCl)C3)cc2F)N1CC(C)(C)F Homo sapiens CHEMBL4619351 cell-based format
CHEMBL4640902 OBDepict F N O F F H N N H H H 3 C F H 3 C CH 3 IC50 = 0.18 nM 489.56 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCF)C3)cc2F)N1CC(C)(C)F Homo sapiens CHEMBL4619351 cell-based format
CHEMBL4060067 OBDepict HO HN O OH Ki = 0.18 nM 429.56 O=C(/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)NCCO Homo sapiens CHEMBL4013737 single protein format
CHEMBL390021 OBDepict F O HO O N Ki = 0.18 nM 457.55 Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3cccc(F)c3)ccc2c1 Homo sapiens CHEMBL889118 single protein format
CHEMBL4633886 OBDepict H 3 C N O F F H N N H H H 3 C F H 3 C H 3 C IC50 = 0.19 nM 485.59 CC1CN(CCOc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1 Homo sapiens CHEMBL4619351 cell-based format
CHEMBL4528514 OBDepict F N O F F H N N H H CH 3 F H 3 C H 3 C IC50 = 0.19 nM 503.58 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F Homo sapiens CHEMBL4619351 cell-based format
CHEMBL2024377 OBDepict HO S O OH O N H 3 C H IC50 = 0.2 nM 473.59 C[C@H](COc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1)N1CCCC1 Homo sapiens CHEMBL2025226 single protein format
CHEMBL198803 OBDepict HO S O OH O N H 3 C H IC50 = 0.2 nM 473.59 C[C@@H](COc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1)N1CCCC1 Homo sapiens CHEMBL863236 single protein format
CHEMBL4165845 OBDepict F N H O OH OH IC50 = 0.2 nM 479.64 Oc1ccc2c(c1)CCCC(C1CCC(O)CC1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1 Homo sapiens CHEMBL4136245 cell-based format
CHEMBL4160292 OBDepict F N H O F F OH O F F IC50 = 0.2 nM 559.58 Oc1ccc2c(c1F)CCCC(c1ccc(OC(F)F)cc1F)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1 Homo sapiens CHEMBL4136245 cell-based format
CHEMBL4464718 OBDepict F N O O CH 3 OH N IC50 = 0.2 nM 470.54 CC1=C(c2ccc(C#N)cc2)C(c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4333839 cell-based format
CHEMBL4163162 OBDepict OH O CH 3 OH O N IC50 = 0.2 nM 457.57 CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CCCCC3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4151744 cell-based format
CHEMBL4576272 OBDepict F N H 3 C H O O CH 3 OH OH IC50 = 0.2 nM 475.56 CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@H](C)N3CC(CF)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4333839 cell-based format
CHEMBL4171078 OBDepict OH O CH 3 OH O N IC50 = 0.2 nM 471.6 CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CCCCCC3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4151744 cell-based format
CHEMBL4163562 OBDepict OH O CH 3 OH O N H H 3 C IC50 = 0.2 nM 457.57 CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CC[C@H](C)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4151744 cell-based format
CHEMBL4176563 OBDepict H 3 C N O O CH 3 OH OH IC50 = 0.2 nM 471.6 CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CCC(C)CC3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4151744 cell-based format
CHEMBL4168008 OBDepict OH O CH 3 HO O N H 3 C H IC50 = 0.2 nM 471.6 CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@H](C)N3CCCCC3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4151744 cell-based format
CHEMBL4567402 OBDepict F N O H O CH 3 F OH F IC50 = 0.2 nM 481.51 CC1=C(c2ccc(F)cc2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)c(F)c21 Homo sapiens CHEMBL4390558 cell-based format
CHEMBL4164447 OBDepict OH O CH 3 OH O N CH 3 H IC50 = 0.2 nM 485.62 CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@H](C)N3CCCCCC3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4151744 cell-based format
CHEMBL4476031 OBDepict H 3 C O CH 3 H O HO O N F IC50 = 0.2 nM 439.53 COC/C=C/C1=C(C)c2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC(CF)C2)cc1 Homo sapiens CHEMBL4390558 cell-based format
CHEMBL4171332 OBDepict OH O CH 3 HO O N H 3 C H H CH 3 IC50 = 0.2 nM 471.6 CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@H](C)N3CC[C@H](C)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4151744 cell-based format
CHEMBL4167575 OBDepict OH O CH 3 OH O N CH 3 H H H 3 C IC50 = 0.2 nM 471.6 CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@H](C)N3CC[C@@H](C)C3)cc2)Oc2cc(O)ccc21 Homo sapiens CHEMBL4151744 cell-based format
CHEMBL4438826 OBDepict OH O CH 3 OH O N H F F IC50 = 0.2 nM 493.55 CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CC[C@@H](C(F)F)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4333839 cell-based format
CHEMBL4461269 OBDepict F H N O O CH 3 OH OH IC50 = 0.2 nM 475.56 CC1=C(c2cccc(O)c2)C(c2ccc(OCCN3CCC[C@H]3CF)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4333839 cell-based format
CHEMBL4177307 OBDepict F N H O CH 3 OH O H 3 C IC50 = 0.2 nM 501.64 COc1ccc(C2=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c3ccc(O)cc3CCC2)c(C)c1 Homo sapiens CHEMBL4136245 cell-based format
CHEMBL4438992 OBDepict F H N H 3 C H O O CH 3 OH OH IC50 = 0.2 nM 489.59 CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@H](C)N3CC[C@@H](CF)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4333839 cell-based format
CHEMBL4174789 OBDepict OH O CH 3 HO O N H 3 C H H CH 3 IC50 = 0.2 nM 471.6 CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@@H](C)N3CC[C@H](C)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4151744 cell-based format
CHEMBL244206 OBDepict OH O F O F N Ki = 0.2 nM 475.54 Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)c(F)c3)ccc2c1 Homo sapiens CHEMBL889118 single protein format
CHEMBL4756497 OBDepict F N O F F H N H CH 3 F CH 3 CH 3 N N H IC50 = 0.2 nM 504.57 C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F Homo sapiens CHEMBL4827352 cell-based format
CHEMBL4645364 OBDepict F H N H 3 C H O F F H N N H H H 3 C F H 3 C H 3 C IC50 = 0.21 nM 531.64 C[C@@H](COc1cc(F)c([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2CC(C)(C)F)c(F)c1)N1CC[C@@H](CF)C1 Homo sapiens CHEMBL4619351 cell-based format
CHEMBL390020 OBDepict OH O HO O N Ki = 0.21 nM 455.55 Oc1cccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)c1 Homo sapiens CHEMBL889118 single protein format
CHEMBL178679 OBDepict OH S O HO N N Cl IC50 = 0.22 nM 541.07 O=C(c1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 Homo sapiens CHEMBL833547 single protein format
CHEMBL4742066 OBDepict H 3 C O CH 3 N H O OH IC50 = 0.22 nM 423.51 CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccc(OC)cc1 Homo sapiens CHEMBL4703592 single protein format
CHEMBL4866232 OBDepict F N HN F F H N N H H CH 3 F F HO IC50 = 0.23 nM 522.56 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NCCN3CC(CF)C3)cc2F)N1CC(F)(F)CO Homo sapiens CHEMBL4827352 cell-based format
CHEMBL1627464 OBDepict CH OH CH 3 H H H HO Ki = 0.23 nM 296.41 C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CCC21C Homo sapiens CHEMBL3706041 cell-based format
CHEMBL244205 OBDepict OH O O F N Ki = 0.24 nM 457.55 Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)cc3)ccc2c1 Homo sapiens CHEMBL889118 single protein format
CHEMBL4745817 OBDepict N CH 3 N H O OH IC50 = 0.24 nM 418.5 CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccccc1C#N Homo sapiens CHEMBL4703592 single protein format
CHEMBL243999 OBDepict N O OH O N Ki = 0.24 nM 464.57 N#Cc1cccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)c1 Homo sapiens CHEMBL889118 single protein format
CHEMBL46937 OBDepict CH 3 S O HO O N Ki = 0.25 nM 513.7 CCCCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 Homo sapiens CHEMBL2051158 single protein format
CHEMBL3774584 OBDepict HO O F F H N H CH 3 F CH 3 H 3 C OH IC50 = 0.25 nM 419.44 C[C@@H]1Cc2cc(O)ccc2[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F Homo sapiens CHEMBL3776153 cell-based format
CHEMBL4873860 OBDepict F N N H F F H N N H H H 3 C F F HO F IC50 = 0.25 nM 540.55 C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO Homo sapiens CHEMBL4827352 cell-based format
CHEMBL4079530 OBDepict H 2 N O OH Ki = 0.27 nM 385.51 NC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1 Homo sapiens CHEMBL4013737 single protein format
CHEMBL180873 OBDepict OH S O HO N N O CH 3 IC50 = 0.27 nM 548.66 Cc1cccc(C(=O)N2CCN(c3ccc(C(=O)c4c(-c5ccc(O)cc5)sc5cc(O)ccc45)cc3)CC2)c1 Homo sapiens CHEMBL833547 single protein format
CHEMBL12987 OBDepict OH N O OH N Ki = 0.28 nM 466.58 Oc1ccc2c(c1)CN(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(O)ccc12 Homo sapiens CHEMBL673861 single protein format
CHEMBL178334 OBDepict HO S O OH N N H 3 C CH 3 IC50 = 0.28 nM 472.61 CC(C)N1CCN(c2ccc(C(=O)c3c(-c4ccc(O)cc4)sc4cc(O)ccc34)cc2)CC1 Homo sapiens CHEMBL833547 single protein format
CHEMBL4450730 OBDepict F N O H O CH 3 OH OH IC50 = 0.28 nM 467.58 CC1=C(C2CCC(O)CC2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4390558 cell-based format
CHEMBL4791503 OBDepict CH 3 N H O OH IC50 = 0.28 nM 393.49 CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1cc2ccccc2[nH]1)c1ccccc1 Homo sapiens CHEMBL4703592 single protein format
CHEMBL4871601 OBDepict F N F N H F F H N N H H H 3 C F F OH IC50 = 0.29 nM 554.58 C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CC(CF)CF)C3)cc2F)N1CC(F)(F)CO Homo sapiens CHEMBL4827352 cell-based format
CHEMBL535158 OBDepict F F O H OH O N ClH Ki = 0.3 nM 524.01 Cl.Oc1ccc2c3c(ccc2c1)-c1cc(F)cc(F)c1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1 Homo sapiens CHEMBL867043 single protein format
CHEMBL4160734 OBDepict OH O CH 3 HO O N H 3 C H H CH 3 IC50 = 0.3 nM 471.6 CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@@H](C)N3CC[C@@H](C)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4151744 cell-based format
CHEMBL4588281 OBDepict F N O H O CH 3 N OH NH 2 IC50 = 0.3 nM 461.54 CC1=C(c2ccc(N)nc2)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)Oc2ccc(O)cc21 Homo sapiens CHEMBL4390558 cell-based format