Found 863 hits with Last Name = 'bonne' and Initial = 'c' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human norepinephrine transporter |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Thymidylate kinase
(Mycobacterium tuberculosis) | BDBM50223787
(CHEMBL235088 | N-(5'-deoxy-alpha-D-thymidin-5'-yl)...)Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(Cl)c3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C17H18Cl2N4O4S/c1-8-7-23(17(26)22-15(8)25)14-5-12(24)13(27-14)6-20-16(28)21-9-2-3-10(18)11(19)4-9/h2-4,7,12-14,24H,5-6H2,1H3,(H2,20,21,28)(H,22,25,26)/t12-,13+,14-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Scripps Florida
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis thymidylate kinase |
J Med Chem 55: 852-70 (2012)
Article DOI: 10.1021/jm201349f BindingDB Entry DOI: 10.7270/Q2BZ66HV |
More data for this Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP12 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 7.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP13 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-15
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP15 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-16
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP16 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-24
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP24 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-25
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP25 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-26
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP26 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human TACE |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP1 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP2 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP3 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP7 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Stromelysin-2
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP10 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP8 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP9 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP14 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-20
(Homo sapiens (Human)) | BDBM50365344
(CHEMBL1956115)Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP20 |
J Med Chem 55: 914-23 (2012)
Article DOI: 10.1021/jm2014748 BindingDB Entry DOI: 10.7270/Q2VX0H0W |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM368199
((S)-2-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)...)Show SMILES CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508708
(CHEMBL4438260)Show SMILES CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1| Show InChI InChI=1S/C28H27F2NO3/c1-18-25-14-23(32)8-11-26(25)34-28(27(18)20-2-6-22(30)7-3-20)21-4-9-24(10-5-21)33-13-12-31-16-19(15-29)17-31/h2-11,14,19,28,32H,12-13,15-17H2,1H3/t28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM368203
(US10227334, Example (S)-3-(3-Hydroxyphenyl)-4-meth...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |c:22| Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20+,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368807
(CHEMBL4164869)Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1ccc(O)cc1)N1CC[C@@H](C)C1 |r,c:22| Show InChI InChI=1S/C30H33NO4/c1-19-14-15-31(17-19)20(2)18-34-26-11-6-23(7-12-26)30-29(22-4-8-24(32)9-5-22)21(3)27-16-25(33)10-13-28(27)35-30/h4-13,16,19-20,30,32-33H,14-15,17-18H2,1-3H3/t19-,20+,30?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM368203
(US10227334, Example (S)-3-(3-Hydroxyphenyl)-4-meth...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |c:22| Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20+,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508703
(CHEMBL4563316)Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCC(CF)CC2)cc1)c1cccc(O)c1 |t:1| Show InChI InChI=1S/C30H32FNO4/c1-20-27-18-25(34)7-10-28(27)36-30(29(20)23-3-2-4-24(33)17-23)22-5-8-26(9-6-22)35-16-15-32-13-11-21(19-31)12-14-32/h2-10,17-18,21,30,33-34H,11-16,19H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508700
(CHEMBL4453442)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](CF)C1 |r,c:22| Show InChI InChI=1S/C30H32FNO4/c1-19(32-13-12-21(16-31)17-32)18-35-26-9-6-22(7-10-26)30-29(23-4-3-5-24(33)14-23)20(2)27-15-25(34)8-11-28(27)36-30/h3-11,14-15,19,21,30,33-34H,12-13,16-18H2,1-2H3/t19-,21-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508704
(CHEMBL4435067)Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@@H](CF)C2)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C29H30FNO4/c1-19-26-16-24(33)7-10-27(26)35-29(28(19)22-3-2-4-23(32)15-22)21-5-8-25(9-6-21)34-14-13-31-12-11-20(17-30)18-31/h2-10,15-16,20,29,32-33H,11-14,17-18H2,1H3/t20-,29?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508707
(CHEMBL4438992)Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](CF)C1 |r,c:22| Show InChI InChI=1S/C30H32FNO4/c1-19(32-13-12-21(16-31)17-32)18-35-26-9-6-22(7-10-26)30-29(23-4-3-5-24(33)14-23)20(2)27-15-25(34)8-11-28(27)36-30/h3-11,14-15,19,21,30,33-34H,12-13,16-18H2,1-2H3/t19-,21-,30?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368873
(CHEMBL4164447)Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CCCCCC1 |r,c:22| Show InChI InChI=1S/C31H35NO4/c1-21(32-16-5-3-4-6-17-32)20-35-27-13-10-23(11-14-27)31-30(24-8-7-9-25(33)18-24)22(2)28-19-26(34)12-15-29(28)36-31/h7-15,18-19,21,31,33-34H,3-6,16-17,20H2,1-2H3/t21-,31?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508697
(CHEMBL4438826)Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@H](C2)C(F)F)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C29H29F2NO4/c1-18-25-16-23(34)7-10-26(25)36-28(27(18)20-3-2-4-22(33)15-20)19-5-8-24(9-6-19)35-14-13-32-12-11-21(17-32)29(30)31/h2-10,15-16,21,28-29,33-34H,11-14,17H2,1H3/t21-,28?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368864
(CHEMBL4168008)Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CCCCC1 |r,c:22| Show InChI InChI=1S/C30H33NO4/c1-20(31-15-4-3-5-16-31)19-34-26-12-9-22(10-13-26)30-29(23-7-6-8-24(32)17-23)21(2)27-18-25(33)11-14-28(27)35-30/h6-14,17-18,20,30,32-33H,3-5,15-16,19H2,1-2H3/t20-,30?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368862
(CHEMBL4176563)Show SMILES CC1CCN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)CC1 |c:26| Show InChI InChI=1S/C30H33NO4/c1-20-12-14-31(15-13-20)16-17-34-26-9-6-22(7-10-26)30-29(23-4-3-5-24(32)18-23)21(2)27-19-25(33)8-11-28(27)35-30/h3-11,18-20,30,32-33H,12-17H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368865
(CHEMBL4175085)Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |r,c:22| Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20+,30?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508701
(CHEMBL4464718)Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(cc1)C#N |t:1| Show InChI InChI=1S/C29H27FN2O3/c1-19-26-14-24(33)8-11-27(26)35-29(28(19)22-4-2-20(16-31)3-5-22)23-6-9-25(10-7-23)34-13-12-32-17-21(15-30)18-32/h2-11,14,21,29,33H,12-13,15,17-18H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368817
(CHEMBL4171078)Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCCCCC2)cc1)c1cccc(O)c1 |t:1| Show InChI InChI=1S/C30H33NO4/c1-21-27-20-25(33)11-14-28(27)35-30(29(21)23-7-6-8-24(32)19-23)22-9-12-26(13-10-22)34-18-17-31-15-4-2-3-5-16-31/h6-14,19-20,30,32-33H,2-5,15-18H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368809
(CHEMBL4163562)Show SMILES C[C@H]1CCN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)C1 |r,c:26| Show InChI InChI=1S/C29H31NO4/c1-19-12-13-30(18-19)14-15-33-25-9-6-21(7-10-25)29-28(22-4-3-5-23(31)16-22)20(2)26-17-24(32)8-11-27(26)34-29/h3-11,16-17,19,29,31-32H,12-15,18H2,1-2H3/t19-,29?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368804
(CHEMBL4163162)Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1cccc(O)c1 |t:1| Show InChI InChI=1S/C29H31NO4/c1-20-26-19-24(32)10-13-27(26)34-29(28(20)22-6-5-7-23(31)18-22)21-8-11-25(12-9-21)33-17-16-30-14-3-2-4-15-30/h5-13,18-19,29,31-32H,2-4,14-17H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368868
(CHEMBL4167575)Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2cc(O)ccc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |r,c:22| Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-12-9-25(33)16-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20+,30?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368793
(CHEMBL4174789)Show SMILES C[C@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@H](C)C1 |r,c:22| Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20+,30?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368871
(CHEMBL4171332)Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@H](C)C1 |r,c:22| Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20-,30?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508709
(CHEMBL4576272)Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC(CF)C1 |r,c:22| Show InChI InChI=1S/C29H30FNO4/c1-18(31-15-20(14-30)16-31)17-34-25-9-6-21(7-10-25)29-28(22-4-3-5-23(32)12-22)19(2)26-13-24(33)8-11-27(26)35-29/h3-13,18,20,29,32-33H,14-17H2,1-2H3/t18-,29?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508710
(CHEMBL4461269)Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCC[C@H]2CF)cc1)c1cccc(O)c1 |r,t:1| Show InChI InChI=1S/C29H30FNO4/c1-19-26-17-24(33)9-12-27(26)35-29(28(19)21-4-2-6-23(32)16-21)20-7-10-25(11-8-20)34-15-14-31-13-3-5-22(31)18-30/h2,4,6-12,16-17,22,29,32-33H,3,5,13-15,18H2,1H3/t22-,29?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM368200
(3-(3-Hydroxyphenyl)-4-methyl-2-(4-(2-(3-methylazet...)Show SMILES CC1CN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)C1 |c:25| Show InChI InChI=1S/C28H29NO4/c1-18-16-29(17-18)12-13-32-24-9-6-20(7-10-24)28-27(21-4-3-5-22(30)14-21)19(2)25-15-23(31)8-11-26(25)33-28/h3-11,14-15,18,28,30-31H,12-13,16-17H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368870
(CHEMBL4161695)Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCC2)cc1)c1cccc(O)c1 |t:1| Show InChI InChI=1S/C27H27NO4/c1-18-24-17-22(30)8-11-25(24)32-27(26(18)20-4-2-5-21(29)16-20)19-6-9-23(10-7-19)31-15-14-28-12-3-13-28/h2,4-11,16-17,27,29-30H,3,12-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM368197
((-)-2-(4-(2-(3-(Fluoromethyl)azetidin-1-yl)ethoxy)...)Show SMILES CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |t:1| Show InChI InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50508706
(CHEMBL4574167)Show SMILES COC[C@@H]1CCN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)C1 |r,c:28| Show InChI InChI=1S/C30H33NO5/c1-20-27-17-25(33)8-11-28(27)36-30(29(20)23-4-3-5-24(32)16-23)22-6-9-26(10-7-22)35-15-14-31-13-12-21(18-31)19-34-2/h3-11,16-17,21,30,32-33H,12-15,18-19H2,1-2H3/t21-,30?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay |
ACS Med Chem Lett 10: 50-55 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00414 BindingDB Entry DOI: 10.7270/Q29P34ZN |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368867
(CHEMBL4160734)Show SMILES C[C@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |r,c:22| Show InChI InChI=1S/C30H33NO4/c1-19-13-14-31(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(32)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,32-33H,13-14,17-18H2,1-3H3/t19-,20-,30?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368863
(CHEMBL4169918)Show SMILES C[C@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CCCC1 |r,c:22| Show InChI InChI=1S/C29H31NO4/c1-19(30-14-3-4-15-30)18-33-25-11-8-21(9-12-25)29-28(22-6-5-7-23(31)16-22)20(2)26-17-24(32)10-13-27(26)34-29/h5-13,16-17,19,29,31-32H,3-4,14-15,18H2,1-2H3/t19-,29?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368872
(CHEMBL4175179)Show SMILES C[C@@H](COc1ccc(cc1)C1Oc2cc(O)ccc2C(C)=C1c1ccc(O)cc1)N1CC[C@@H](C)C1 |r,c:22| Show InChI InChI=1S/C30H33NO4/c1-19-14-15-31(17-19)20(2)18-34-26-11-6-23(7-12-26)30-29(22-4-8-24(32)9-5-22)21(3)27-13-10-25(33)16-28(27)35-30/h4-13,16,19-20,30,32-33H,14-15,17-18H2,1-3H3/t19-,20+,30?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50368861
(CHEMBL4161455)Show SMILES C[C@@H]1CCN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)C1 |r,c:26| Show InChI InChI=1S/C29H31NO4/c1-19-12-13-30(18-19)14-15-33-25-9-6-21(7-10-25)29-28(22-4-3-5-23(31)16-22)20(2)26-17-24(32)8-11-27(26)34-29/h3-11,16-17,19,29,31-32H,12-15,18H2,1-2H3/t19-,29?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by... |
J Med Chem 61: 7917-7928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00921 BindingDB Entry DOI: 10.7270/Q2MP55SC |
More data for this Ligand-Target Pair | |