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4 similar compounds to monomer 50149073

Compile data set for download or QSAR
Wt: 544.5
BDBM50149069
Wt: 479.6
BDBM50149071
Wt: 465.6
BDBM50149072
Wt: 558.5
BDBM50149074

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50149069,50149071,50149072,50149074   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50149072
PNG
((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(2-pyrrolidin-1-...)
Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C26H27NO3S2/c28-20-7-3-18(4-8-20)26-25(31-23-12-9-21(29)17-24(23)32-26)19-5-10-22(11-6-19)30-16-15-27-13-1-2-14-27/h3-12,17,25-26,28-29H,1-2,13-16H2/t25-,26+/m0/s1
PDB

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Article
PubMed
n/an/a 266n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human estrogen receptor beta


Bioorg Med Chem Lett 14: 3753-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.101
BindingDB Entry DOI: 10.7270/Q29886GZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50149072
PNG
((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(2-pyrrolidin-1-...)
Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C26H27NO3S2/c28-20-7-3-18(4-8-20)26-25(31-23-12-9-21(29)17-24(23)32-26)19-5-10-22(11-6-19)30-16-15-27-13-1-2-14-27/h3-12,17,25-26,28-29H,1-2,13-16H2/t25-,26+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human estrogen receptor alpha


Bioorg Med Chem Lett 14: 3753-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.101
BindingDB Entry DOI: 10.7270/Q29886GZ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50149071
PNG
((2S,3R)-3-(3-Hydroxy-phenyl)-2-[4-(2-piperidin-1-y...)
Show SMILES Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H29NO3S2/c29-21-6-4-5-20(17-21)27-26(32-24-12-9-22(30)18-25(24)33-27)19-7-10-23(11-8-19)31-16-15-28-13-2-1-3-14-28/h4-12,17-18,26-27,29-30H,1-3,13-16H2/t26-,27+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 583n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human estrogen receptor beta


Bioorg Med Chem Lett 14: 3753-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.101
BindingDB Entry DOI: 10.7270/Q29886GZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50149071
PNG
((2S,3R)-3-(3-Hydroxy-phenyl)-2-[4-(2-piperidin-1-y...)
Show SMILES Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H29NO3S2/c29-21-6-4-5-20(17-21)27-26(32-24-12-9-22(30)18-25(24)33-27)19-7-10-23(11-8-19)31-16-15-28-13-2-1-3-14-28/h4-12,17-18,26-27,29-30H,1-3,13-16H2/t26-,27+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human estrogen receptor alpha


Bioorg Med Chem Lett 14: 3753-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.101
BindingDB Entry DOI: 10.7270/Q29886GZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50149074
PNG
((2S,3R)-2-[3-Bromo-4-(2-piperidin-1-yl-ethoxy)-phe...)
Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCCC2)c(Br)c1
Show InChI InChI=1S/C27H28BrNO3S2/c28-22-16-19(6-10-23(22)32-15-14-29-12-2-1-3-13-29)27-26(18-4-7-20(30)8-5-18)34-25-17-21(31)9-11-24(25)33-27/h4-11,16-17,26-27,30-31H,1-3,12-15H2/t26-,27+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human estrogen receptor alpha


Bioorg Med Chem Lett 14: 3753-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.101
BindingDB Entry DOI: 10.7270/Q29886GZ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50149074
PNG
((2S,3R)-2-[3-Bromo-4-(2-piperidin-1-yl-ethoxy)-phe...)
Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCCC2)c(Br)c1
Show InChI InChI=1S/C27H28BrNO3S2/c28-22-16-19(6-10-23(22)32-15-14-29-12-2-1-3-13-29)27-26(18-4-7-20(30)8-5-18)34-25-17-21(31)9-11-24(25)33-27/h4-11,16-17,26-27,30-31H,1-3,12-15H2/t26-,27+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 111n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human estrogen receptor beta


Bioorg Med Chem Lett 14: 3753-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.101
BindingDB Entry DOI: 10.7270/Q29886GZ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50149069
PNG
((2S,3R)-2-[3-Bromo-4-(2-pyrrolidin-1-yl-ethoxy)-ph...)
Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C26H26BrNO3S2/c27-21-15-18(5-9-22(21)31-14-13-28-11-1-2-12-28)26-25(17-3-6-19(29)7-4-17)33-24-16-20(30)8-10-23(24)32-26/h3-10,15-16,25-26,29-30H,1-2,11-14H2/t25-,26+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human estrogen receptor beta


Bioorg Med Chem Lett 14: 3753-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.101
BindingDB Entry DOI: 10.7270/Q29886GZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50149069
PNG
((2S,3R)-2-[3-Bromo-4-(2-pyrrolidin-1-yl-ethoxy)-ph...)
Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C26H26BrNO3S2/c27-21-15-18(5-9-22(21)31-14-13-28-11-1-2-12-28)26-25(17-3-6-19(29)7-4-17)33-24-16-20(30)8-10-23(24)32-26/h3-10,15-16,25-26,29-30H,1-2,11-14H2/t25-,26+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human estrogen receptor alpha


Bioorg Med Chem Lett 14: 3753-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.101
BindingDB Entry DOI: 10.7270/Q29886GZ
More data for this
Ligand-Target Pair