Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50047734 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)) | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of ER-alpha (unknown origin) by Lanthascreen-FRET assay |
Bioorg Med Chem 24: 4075-4099 (2016)
Article DOI: 10.1016/j.bmc.2016.06.050
BindingDB Entry DOI: 10.7270/Q2T43W1S |
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
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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of ER-beta (unknown origin) by Lanthascreen-FRET assay |
Bioorg Med Chem 24: 4075-4099 (2016)
Article DOI: 10.1016/j.bmc.2016.06.050
BindingDB Entry DOI: 10.7270/Q2T43W1S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50186728
(CHEMBL3823426)Show SMILES Cc1c(-c2ccc(O)cc2)n(CCCCn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)c2ccc(O)cc12 Show InChI InChI=1S/C34H32N2O4/c1-21-29-19-27(39)13-15-31(29)35(33(21)23-5-9-25(37)10-6-23)17-3-4-18-36-32-16-14-28(40)20-30(32)22(2)34(36)24-7-11-26(38)12-8-24/h5-16,19-20,37-40H,3-4,17-18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of ER-beta (unknown origin) by Lanthascreen-FRET assay |
Bioorg Med Chem 24: 4075-4099 (2016)
Article DOI: 10.1016/j.bmc.2016.06.050
BindingDB Entry DOI: 10.7270/Q2T43W1S |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50186729
(CHEMBL3823192)Show SMILES COc1ccc(\C=C(\C(=O)N(C)CCCCCCCCCCCCn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C47H58N2O8/c1-32-38-31-37(51)22-23-40(38)49(45(32)34-18-20-36(50)21-19-34)26-16-14-12-10-8-7-9-11-13-15-25-48(2)47(53)39(27-33-17-24-42(54-3)41(52)28-33)35-29-43(55-4)46(57-6)44(30-35)56-5/h17-24,27-31,50-52H,7-16,25-26H2,1-6H3/b39-27+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of ER-beta (unknown origin) by Lanthascreen-FRET assay |
Bioorg Med Chem 24: 4075-4099 (2016)
Article DOI: 10.1016/j.bmc.2016.06.050
BindingDB Entry DOI: 10.7270/Q2T43W1S |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50186727
(CHEMBL3823498)Show SMILES CNCCCCCCCCCCCCn1c(c(C)c2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C28H40N2O2/c1-22-26-21-25(32)17-18-27(26)30(28(22)23-13-15-24(31)16-14-23)20-12-10-8-6-4-3-5-7-9-11-19-29-2/h13-18,21,29,31-32H,3-12,19-20H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of ER-alpha (unknown origin) by Lanthascreen-FRET assay |
Bioorg Med Chem 24: 4075-4099 (2016)
Article DOI: 10.1016/j.bmc.2016.06.050
BindingDB Entry DOI: 10.7270/Q2T43W1S |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50186728
(CHEMBL3823426)Show SMILES Cc1c(-c2ccc(O)cc2)n(CCCCn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)c2ccc(O)cc12 Show InChI InChI=1S/C34H32N2O4/c1-21-29-19-27(39)13-15-31(29)35(33(21)23-5-9-25(37)10-6-23)17-3-4-18-36-32-16-14-28(40)20-30(32)22(2)34(36)24-7-11-26(38)12-8-24/h5-16,19-20,37-40H,3-4,17-18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 436 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of ER-alpha (unknown origin) by Lanthascreen-FRET assay |
Bioorg Med Chem 24: 4075-4099 (2016)
Article DOI: 10.1016/j.bmc.2016.06.050
BindingDB Entry DOI: 10.7270/Q2T43W1S |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50186729
(CHEMBL3823192)Show SMILES COc1ccc(\C=C(\C(=O)N(C)CCCCCCCCCCCCn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C47H58N2O8/c1-32-38-31-37(51)22-23-40(38)49(45(32)34-18-20-36(50)21-19-34)26-16-14-12-10-8-7-9-11-13-15-25-48(2)47(53)39(27-33-17-24-42(54-3)41(52)28-33)35-29-43(55-4)46(57-6)44(30-35)56-5/h17-24,27-31,50-52H,7-16,25-26H2,1-6H3/b39-27+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 574 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of ER-alpha (unknown origin) by Lanthascreen-FRET assay |
Bioorg Med Chem 24: 4075-4099 (2016)
Article DOI: 10.1016/j.bmc.2016.06.050
BindingDB Entry DOI: 10.7270/Q2T43W1S |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50186727
(CHEMBL3823498)Show SMILES CNCCCCCCCCCCCCn1c(c(C)c2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C28H40N2O2/c1-22-26-21-25(32)17-18-27(26)30(28(22)23-13-15-24(31)16-14-23)20-12-10-8-6-4-3-5-7-9-11-19-29-2/h13-18,21,29,31-32H,3-12,19-20H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Inhibition of ER-beta (unknown origin) by Lanthascreen-FRET assay |
Bioorg Med Chem 24: 4075-4099 (2016)
Article DOI: 10.1016/j.bmc.2016.06.050
BindingDB Entry DOI: 10.7270/Q2T43W1S |
More data for this
Ligand-Target Pair | |
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