Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50015718 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 |
|---|
Estrogen receptor
(Homo sapiens (Human)) | BDBM50160297
((3S,4R)-3-Phenyl-4-[4-(2-pyrrolidin-1-yl-ethoxy)-p...)Show SMILES Oc1ccc2[C@H]([C@H](SCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H29NO2S/c29-23-10-13-25-22(18-23)19-31-27(21-6-2-1-3-7-21)26(25)20-8-11-24(12-9-20)30-17-16-28-14-4-5-15-28/h1-3,6-13,18,26-27,29H,4-5,14-17,19H2/t26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor alpha |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50144849
((2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3...)Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
MMDB
PC cid
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PDB
UniChem
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Similars
| PDB
Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor alpha |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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CHEMBL
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MCE
KEGG
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PC cid
PC sid
PDB
UniChem
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| PDB
Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor beta |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM20606
((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phe...)Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1 | PDB
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MCE
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| PDB
Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor alpha |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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CHEMBL
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PC sid
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| PDB
Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor alpha |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM20606
((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phe...)Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1 | PDB
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antibodypedia
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| Purchase
CHEMBL
MCE
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PC cid
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| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor beta |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50160297
((3S,4R)-3-Phenyl-4-[4-(2-pyrrolidin-1-yl-ethoxy)-p...)Show SMILES Oc1ccc2[C@H]([C@H](SCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H29NO2S/c29-23-10-13-25-22(18-23)19-31-27(21-6-2-1-3-7-21)26(25)20-8-11-24(12-9-20)30-17-16-28-14-4-5-15-28/h1-3,6-13,18,26-27,29H,4-5,14-17,19H2/t26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor beta |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50160298
((3S,4R)-3-Phenyl-4-[4-(2-pyrrolidin-1-yl-ethoxy)-p...)Show SMILES Oc1ccc2[C@H]([C@H](OCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H29NO3/c29-23-10-13-25-22(18-23)19-31-27(21-6-2-1-3-7-21)26(25)20-8-11-24(12-9-20)30-17-16-28-14-4-5-15-28/h1-3,6-13,18,26-27,29H,4-5,14-17,19H2/t26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor alpha |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50160298
((3S,4R)-3-Phenyl-4-[4-(2-pyrrolidin-1-yl-ethoxy)-p...)Show SMILES Oc1ccc2[C@H]([C@H](OCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H29NO3/c29-23-10-13-25-22(18-23)19-31-27(21-6-2-1-3-7-21)26(25)20-8-11-24(12-9-20)30-17-16-28-14-4-5-15-28/h1-3,6-13,18,26-27,29H,4-5,14-17,19H2/t26-,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor beta |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50144849
((2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3...)Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor beta |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50160300
(1-{2-[4-((3S,4R)-7-Methoxy-3-phenyl-isothiochroman...)Show SMILES COc1ccc2[C@H]([C@H](SCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H31NO2S/c1-30-25-13-14-26-23(19-25)20-32-28(22-7-3-2-4-8-22)27(26)21-9-11-24(12-10-21)31-18-17-29-15-5-6-16-29/h2-4,7-14,19,27-28H,5-6,15-18,20H2,1H3/t27-,28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor alpha |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50160299
(1-{2-[4-((3S,4R)-7-Methoxy-3-phenyl-isochroman-4-y...)Show SMILES COc1ccc2[C@H]([C@H](OCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H31NO3/c1-30-25-13-14-26-23(19-25)20-32-28(22-7-3-2-4-8-22)27(26)21-9-11-24(12-10-21)31-18-17-29-15-5-6-16-29/h2-4,7-14,19,27-28H,5-6,15-18,20H2,1H3/t27-,28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor alpha |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50160300
(1-{2-[4-((3S,4R)-7-Methoxy-3-phenyl-isothiochroman...)Show SMILES COc1ccc2[C@H]([C@H](SCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H31NO2S/c1-30-25-13-14-26-23(19-25)20-32-28(22-7-3-2-4-8-22)27(26)21-9-11-24(12-10-21)31-18-17-29-15-5-6-16-29/h2-4,7-14,19,27-28H,5-6,15-18,20H2,1H3/t27-,28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor beta |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50160299
(1-{2-[4-((3S,4R)-7-Methoxy-3-phenyl-isochroman-4-y...)Show SMILES COc1ccc2[C@H]([C@H](OCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H31NO3/c1-30-25-13-14-26-23(19-25)20-32-28(22-7-3-2-4-8-22)27(26)21-9-11-24(12-10-21)31-18-17-29-15-5-6-16-29/h2-4,7-14,19,27-28H,5-6,15-18,20H2,1H3/t27-,28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 315 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human estrogen receptor beta |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018
BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this
Ligand-Target Pair | |
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