Found 6 hits of Enzyme Inhibition Constant Data 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)) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to ERalpha (unknown origin) |
Bioorg Med Chem 24: 759-67 (2016)
Article DOI: 10.1016/j.bmc.2015.12.045
BindingDB Entry DOI: 10.7270/Q2GX4FJB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM20628
(2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...)Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
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| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to ERbeta (unknown origin) |
Bioorg Med Chem 24: 759-67 (2016)
Article DOI: 10.1016/j.bmc.2015.12.045
BindingDB Entry DOI: 10.7270/Q2GX4FJB |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM20628
(2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...)Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to ERalpha (unknown origin) |
Bioorg Med Chem 24: 759-67 (2016)
Article DOI: 10.1016/j.bmc.2015.12.045
BindingDB Entry DOI: 10.7270/Q2GX4FJB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM19441
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to ERbeta (unknown origin) |
Bioorg Med Chem 24: 759-67 (2016)
Article DOI: 10.1016/j.bmc.2015.12.045
BindingDB Entry DOI: 10.7270/Q2GX4FJB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50500651
(CHEMBL1189544)Show SMILES O=C(c1c(sc2ccccc12)-c1ccccc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO2S/c30-27(21-13-15-23(16-14-21)31-20-19-29-17-7-2-8-18-29)26-24-11-5-6-12-25(24)32-28(26)22-9-3-1-4-10-22/h1,3-6,9-16H,2,7-8,17-20H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to ERbeta (unknown origin) |
Bioorg Med Chem 24: 759-67 (2016)
Article DOI: 10.1016/j.bmc.2015.12.045
BindingDB Entry DOI: 10.7270/Q2GX4FJB |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50500651
(CHEMBL1189544)Show SMILES O=C(c1c(sc2ccccc12)-c1ccccc1)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO2S/c30-27(21-13-15-23(16-14-21)31-20-19-29-17-7-2-8-18-29)26-24-11-5-6-12-25(24)32-28(26)22-9-3-1-4-10-22/h1,3-6,9-16H,2,7-8,17-20H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to ERalpha (unknown origin) |
Bioorg Med Chem 24: 759-67 (2016)
Article DOI: 10.1016/j.bmc.2015.12.045
BindingDB Entry DOI: 10.7270/Q2GX4FJB |
More data for this
Ligand-Target Pair | |
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