Found 38 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50017889 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 beta
(Homo sapiens (Human)) | BDBM50187939
((S)-9a-butyl-6-ethyl-1-fluoro-8,9,9a,10-tetrahydro...)Show SMILES CCCC[C@]12Cc3c(ccc4n[nH]c(F)c34)C1=C(CC)C(=O)CC2 |t:19| Show InChI InChI=1S/C20H23FN2O/c1-3-5-9-20-10-8-16(24)12(4-2)18(20)13-6-7-15-17(14(13)11-20)19(21)23-22-15/h6-7H,3-5,8-11H2,1-2H3,(H,22,23)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187954
((S)-9a-ethyl-1-fluoro-6-(trifluoromethyl)-8,9,9a,1...)Show SMILES CC[C@]12Cc3c(ccc4n[nH]c(F)c34)C1=C(C(=O)CC2)C(F)(F)F |c:17| Show InChI InChI=1S/C17H14F4N2O/c1-2-16-6-5-11(24)14(17(19,20)21)13(16)8-3-4-10-12(9(8)7-16)15(18)23-22-10/h3-4H,2,5-7H2,1H3,(H,22,23)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187941
((S)-9a-butyl-6-(trifluoromethyl)-8,9,9a,10-tetrahy...)Show SMILES CCCC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)C(F)(F)F |c:18| Show InChI InChI=1S/C19H19F3N2O/c1-2-3-7-18-8-6-15(25)17(19(20,21)22)16(18)11-4-5-14-13(10-23-24-14)12(11)9-18/h4-5,10H,2-3,6-9H2,1H3,(H,23,24)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187956
((R)-9a-butyl-6-(trifluoromethyl)-9,9a-dihydroinden...)Show SMILES CCCC[C@@]12CCC(=O)C(=C1c1ccc3[nH]ncc3c1C2=O)C(F)(F)F |c:9| Show InChI InChI=1S/C19H17F3N2O2/c1-2-3-7-18-8-6-13(25)16(19(20,21)22)15(18)10-4-5-12-11(9-23-24-12)14(10)17(18)26/h4-5,9H,2-3,6-8H2,1H3,(H,23,24)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187968
((S)-9a-butyl-1-fluoro-6-(trifluoromethyl)-8,9,9a,1...)Show SMILES CCCC[C@]12Cc3c(ccc4n[nH]c(F)c34)C1=C(C(=O)CC2)C(F)(F)F |c:19| Show InChI InChI=1S/C19H18F4N2O/c1-2-3-7-18-8-6-13(26)16(19(21,22)23)15(18)10-4-5-12-14(11(10)9-18)17(20)25-24-12/h4-5H,2-3,6-9H2,1H3,(H,24,25)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187973
((S)-9a-butyl-6-ethyl-8,9,9a,10-tetrahydroindeno[2,...)Show SMILES CCCC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(CC)C(=O)CC2 |t:18| Show InChI InChI=1S/C20H24N2O/c1-3-5-9-20-10-8-18(23)13(4-2)19(20)14-6-7-17-16(12-21-22-17)15(14)11-20/h6-7,12H,3-5,8-11H2,1-2H3,(H,21,22)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187944
((S)-6-chloro-9a-ethyl-1-fluoro-8,9,9a,10-tetrahydr...)Show SMILES CC[C@]12Cc3c(ccc4[nH]nc(F)c34)C1=C(Cl)C(=O)CC2 |t:17| Show InChI InChI=1S/C16H14ClFN2O/c1-2-16-6-5-11(21)14(17)13(16)8-3-4-10-12(9(8)7-16)15(18)20-19-10/h3-4H,2,5-7H2,1H3,(H,19,20)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187964
((S)-9a-ethyl-6-phenyl-8,9,9a,10-tetrahydroindeno[2...)Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)c1ccccc1 |c:16| Show InChI InChI=1S/C22H20N2O/c1-2-22-11-10-19(25)20(14-6-4-3-5-7-14)21(22)15-8-9-18-17(13-23-24-18)16(15)12-22/h3-9,13H,2,10-12H2,1H3,(H,23,24)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187943
((R)-9a-ethyl-6-(trifluoromethyl)-9,9a-dihydroinden...)Show SMILES CC[C@@]12CCC(=O)C(=C1c1ccc3[nH]ncc3c1C2=O)C(F)(F)F |c:7| Show InChI InChI=1S/C17H13F3N2O2/c1-2-16-6-5-11(23)14(17(18,19)20)13(16)8-3-4-10-9(7-21-22-10)12(8)15(16)24/h3-4,7H,2,5-6H2,1H3,(H,21,22)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187966
((S)-6-bromo-9a-(2-cyclopropyl-ethyl)-8,9,9a,10-tet...)Show SMILES BrC1=C2c3ccc4[nH]ncc4c3C[C@]2(CCC2CC2)CCC1=O |c:1| Show InChI InChI=1S/C19H19BrN2O/c20-18-16(23)6-8-19(7-5-11-1-2-11)9-13-12(17(18)19)3-4-15-14(13)10-21-22-15/h3-4,10-11H,1-2,5-9H2,(H,21,22)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187959
(CHEMBL211870 | rac-6-bromo-9a-ethyl-1-fluoro-8,9,9...)Show SMILES CCC12Cc3c(ccc4[nH]nc(F)c34)C1=C(Br)C(=O)CC2 |t:17| Show InChI InChI=1S/C16H14BrFN2O/c1-2-16-6-5-11(21)14(17)13(16)8-3-4-10-12(9(8)7-16)15(18)20-19-10/h3-4H,2,5-7H2,1H3,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50185851
((R,S)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...)Show InChI InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB 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 to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187947
((S)-6-bromo-9a-ethyl-8,9,9a,10-tetrahydroindeno[2,...)Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2 |t:16| Show InChI InChI=1S/C16H15BrN2O/c1-2-16-6-5-13(20)15(17)14(16)9-3-4-12-11(8-18-19-12)10(9)7-16/h3-4,8H,2,5-7H2,1H3,(H,18,19)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187971
((S)-9a-ethyl-6-(trifluoromethyl)-8,9,9a,10-tetrahy...)Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)C(F)(F)F |c:16| Show InChI InChI=1S/C17H15F3N2O/c1-2-16-6-5-13(23)15(17(18,19)20)14(16)9-3-4-12-11(8-21-22-12)10(9)7-16/h3-4,8H,2,5-7H2,1H3,(H,21,22)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187949
(CHEMBL211953 | rac-6,9a-diethyl-8,9,9a,10-tetrahyd...)Show InChI InChI=1S/C18H20N2O/c1-3-11-16(21)7-8-18(4-2)9-13-12(17(11)18)5-6-15-14(13)10-19-20-15/h5-6,10H,3-4,7-9H2,1-2H3,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187965
((R)-6-bromo-9a-(cyclopropylmethyl)-8,9,9a,10-tetra...)Show SMILES BrC1=C2c3ccc4[nH]ncc4c3C[C@]2(CC2CC2)CCC1=O |c:1| Show InChI InChI=1S/C18H17BrN2O/c19-17-15(22)5-6-18(7-10-1-2-10)8-12-11(16(17)18)3-4-14-13(12)9-20-21-14/h3-4,9-10H,1-2,5-8H2,(H,20,21)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187972
((R)-6-chloro-9a-ethyl-9,9a-dihydroindeno[2,1-e]ind...)Show SMILES CC[C@@]12CCC(=O)C(Cl)=C1c1ccc3[nH]ncc3c1C2=O |c:8| Show InChI InChI=1S/C16H13ClN2O2/c1-2-16-6-5-11(20)14(17)13(16)8-3-4-10-9(7-18-19-10)12(8)15(16)21/h3-4,7H,2,5-6H2,1H3,(H,18,19)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187974
(CHEMBL212185 | rac-6-bromo-9a-butyl-8,9,9a,10-tetr...)Show SMILES CCCCC12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2 |t:18| Show InChI InChI=1S/C18H19BrN2O/c1-2-3-7-18-8-6-15(22)17(19)16(18)11-4-5-14-13(10-20-21-14)12(11)9-18/h4-5,10H,2-3,6-9H2,1H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187962
((S)-methyl 9a-butyl-7-oxo-3,7,8,9,9a,10-hexahydroi...)Show SMILES CCCC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)OC)C(=O)CC2 |t:18| Show InChI InChI=1S/C20H22N2O3/c1-3-4-8-20-9-7-16(23)17(19(24)25-2)18(20)12-5-6-15-14(11-21-22-15)13(12)10-20/h5-6,11H,3-4,7-10H2,1-2H3,(H,21,22)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187948
(CHEMBL380032 | rac-6-bromo-9a-propyl-8,9,9a,10-tet...)Show SMILES CCCC12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2 |t:17| Show InChI InChI=1S/C17H17BrN2O/c1-2-6-17-7-5-14(21)16(18)15(17)10-3-4-13-12(9-19-20-13)11(10)8-17/h3-4,9H,2,5-8H2,1H3,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187945
(CHEMBL379543 | rac-9a-butyl-6-cyclopropyl-8,9,9a,1...)Show SMILES CCCCC12Cc3c(ccc4[nH]ncc34)C1=C(C1CC1)C(=O)CC2 |t:18| Show InChI InChI=1S/C21H24N2O/c1-2-3-9-21-10-8-18(24)19(13-4-5-13)20(21)14-6-7-17-16(12-22-23-17)15(14)11-21/h6-7,12-13H,2-5,8-11H2,1H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187958
((S)-9a-ethyl-6-methyl-8,9,9a,10-tetrahydroindeno[2...)Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C)C(=O)CC2 |t:16| Show InChI InChI=1S/C17H18N2O/c1-3-17-7-6-15(20)10(2)16(17)11-4-5-14-13(9-18-19-14)12(11)8-17/h4-5,9H,3,6-8H2,1-2H3,(H,18,19)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187961
((S)-6-chloro-9a-ethyl-8,9,9a,10-tetrahydroindeno[2...)Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(Cl)C(=O)CC2 |t:16| Show InChI InChI=1S/C16H15ClN2O/c1-2-16-6-5-13(20)15(17)14(16)9-3-4-12-11(8-18-19-12)10(9)7-16/h3-4,8H,2,5-7H2,1H3,(H,18,19)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187953
((S)-6-cyclopropyl-9a-ethyl-8,9,9a,10-tetrahydroind...)Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C1CC1)C(=O)CC2 |t:16| Show InChI InChI=1S/C19H20N2O/c1-2-19-8-7-16(22)17(11-3-4-11)18(19)12-5-6-15-14(10-20-21-15)13(12)9-19/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,21)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187951
((S)-9a-methyl-6-(trifluoromethyl)-8,9,9a,10-tetrah...)Show SMILES C[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)C(F)(F)F |c:15| Show InChI InChI=1S/C16H13F3N2O/c1-15-5-4-12(22)14(16(17,18)19)13(15)8-2-3-11-10(7-20-21-11)9(8)6-15/h2-3,7H,4-6H2,1H3,(H,20,21)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187957
(CHEMBL379595 | rac-6-bromo-9a-ethyl-9,9a-dihydroin...)Show SMILES CCC12CCC(=O)C(Br)=C1c1ccc3[nH]ncc3c1C2=O |c:8| Show InChI InChI=1S/C16H13BrN2O2/c1-2-16-6-5-11(20)14(17)13(16)8-3-4-10-9(7-18-19-10)12(8)15(16)21/h3-4,7H,2,5-6H2,1H3,(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187955
(CHEMBL209738 | rac-9a-butyl-6-methyl-8,9,9a,10-tet...)Show SMILES CCCCC12Cc3c(ccc4[nH]ncc34)C1=C(C)C(=O)CC2 |t:18| Show InChI InChI=1S/C19H22N2O/c1-3-4-8-19-9-7-17(22)12(2)18(19)13-5-6-16-15(11-20-21-16)14(13)10-19/h5-6,11H,3-4,7-10H2,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187946
(CHEMBL377171 | rac-6-methyl-9a-propyl-8,9,9a,10-te...)Show SMILES CCCC12Cc3c(ccc4[nH]ncc34)C1=C(C)C(=O)CC2 |t:17| Show InChI InChI=1S/C18H20N2O/c1-3-7-18-8-6-16(21)11(2)17(18)12-4-5-15-14(10-19-20-15)13(12)9-18/h4-5,10H,3,6-9H2,1-2H3,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187940
(CHEMBL378990 | rac-6-bromo-9a-methyl-8,9,9a,10-tet...)Show SMILES CC12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2 |t:15| Show InChI InChI=1S/C15H13BrN2O/c1-15-5-4-12(19)14(16)13(15)8-2-3-11-10(7-17-18-11)9(8)6-15/h2-3,7H,4-6H2,1H3,(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187967
(CHEMBL379567 | rac-9a-ethyl-6-methyl-9,9a-dihydroi...)Show SMILES CCC12CCC(=O)C(C)=C1c1ccc3[nH]ncc3c1C2=O |c:8| Show InChI InChI=1S/C17H16N2O2/c1-3-17-7-6-13(20)9(2)15(17)10-4-5-12-11(8-18-19-12)14(10)16(17)21/h4-5,8H,3,6-7H2,1-2H3,(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187970
(CHEMBL211837 | rac-1-chloro-9a-ethyl-6-methyl-8,9,...)Show SMILES CCC12Cc3c(ccc4[nH]nc(Cl)c34)C1=C(C)C(=O)CC2 |t:17| Show InChI InChI=1S/C17H17ClN2O/c1-3-17-7-6-13(21)9(2)15(17)10-4-5-12-14(11(10)8-17)16(18)20-19-12/h4-5H,3,6-8H2,1-2H3,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187960
(CHEMBL212468 | rac-6,9a-dimethyl-8,9,9a,10-tetrahy...)Show InChI InChI=1S/C16H16N2O/c1-9-14(19)5-6-16(2)7-11-10(15(9)16)3-4-13-12(11)8-17-18-13/h3-4,8H,5-7H2,1-2H3,(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187963
(CHEMBL379566 | rac-1-bromo-9a-ethyl-6-methyl-8,9,9...)Show SMILES CCC12Cc3c(ccc4[nH]nc(Br)c34)C1=C(C)C(=O)CC2 |t:17| Show InChI InChI=1S/C17H17BrN2O/c1-3-17-7-6-13(21)9(2)15(17)10-4-5-12-14(11(10)8-17)16(18)20-19-12/h4-5H,3,6-8H2,1-2H3,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187952
(CHEMBL209650 | rac-methyl 9a-ethyl-7-oxo-3,7,8,9,9...)Show SMILES CCC12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)OC)C(=O)CC2 |t:16| Show InChI InChI=1S/C18H18N2O3/c1-3-18-7-6-14(21)15(17(22)23-2)16(18)10-4-5-13-12(9-19-20-13)11(10)8-18/h4-5,9H,3,6-8H2,1-2H3,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187942
(CHEMBL380106 | rac-9a-butyl-8,9,9a,10-tetrahydroin...)Show SMILES CCCCC12Cc3c(ccc4[nH]ncc34)C1=CC(=O)CC2 |c:18| Show InChI InChI=1S/C18H20N2O/c1-2-3-7-18-8-6-12(21)9-16(18)13-4-5-17-15(11-19-20-17)14(13)10-18/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 283 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187969
(CHEMBL377616 | rac-9a-ethyl-8,9,9a,10-tetrahydroin...)Show SMILES CCC12Cc3c(ccc4[nH]ncc34)C1=CC(=O)CC2 |c:16| Show InChI InChI=1S/C16H16N2O/c1-2-16-6-5-10(19)7-14(16)11-3-4-15-13(9-17-18-15)12(11)8-16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 618 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50187950
((R)-9a-ethyl-6-methyl-8,9,9a,10-tetrahydroindeno[2...)Show SMILES CC[C@@]12Cc3c(ccc4[nH]ncc34)C1=C(C)C(=O)CC2 |t:16| Show InChI InChI=1S/C17H18N2O/c1-3-17-7-6-15(20)10(2)16(17)11-4-5-14-13(9-18-19-14)12(11)8-17/h4-5,9H,3,6-8H2,1-2H3,(H,18,19)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
Bioorg Med Chem Lett 16: 3896-901 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01 |
More data for this Ligand-Target Pair | |