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3 similar compounds to monomer 50190030

Compile data set for download or QSAR
Wt: 427.5
BDBM50190008
Wt: 445.5
BDBM50190015
Wt: 492.0
BDBM50190023

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50190008,50190015,50190023   
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 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190008
PNG
((4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)S(=O)(=O)c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO4S2/c1-23-19(24)14-17(15-8-4-2-5-9-15)21(23)22(25)18-12-13-20(28-18)29(26,27)16-10-6-3-7-11-16/h2-13,17,21-22,25H,14H2,1H3/t17-,21-,22-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190015
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-(5-(4-fluorophen...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)S(=O)(=O)c2ccccc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C22H20FNO4S2/c1-24-19(25)13-16(15-9-5-6-10-17(15)23)21(24)22(26)18-11-12-20(29-18)30(27,28)14-7-3-2-4-8-14/h2-12,16,21-22,26H,13H2,1H3/t16-,21-,22-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190008
PNG
((4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)S(=O)(=O)c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO4S2/c1-23-19(24)14-17(15-8-4-2-5-9-15)21(23)22(25)18-12-13-20(28-18)29(26,27)16-10-6-3-7-11-16/h2-13,17,21-22,25H,14H2,1H3/t17-,21-,22-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of estradiol to estrone conversion in MG63 cells


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190023
PNG
((4R,5R)-5-((S)-(5-(4-chlorophenylsulfonyl)thiophen...)
Show SMILES COc1ccccc1[C@H]1CC(=O)N(C)[C@H]1[C@H](O)c1ccc(s1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClNO5S2/c1-25-20(26)13-17(16-5-3-4-6-18(16)30-2)22(25)23(27)19-11-12-21(31-19)32(28,29)15-9-7-14(24)8-10-15/h3-12,17,22-23,27H,13H2,1-2H3/t17-,22-,23-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50190008
PNG
((4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)S(=O)(=O)c2ccccc2)[C@H](CC1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO4S2/c1-23-19(24)14-17(15-8-4-2-5-9-15)21(23)22(25)18-12-13-20(28-18)29(26,27)16-10-6-3-7-11-16/h2-13,17,21-22,25H,14H2,1H3/t17-,21-,22-/m1/s1
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair