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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50038469   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50376852
PNG
(CHEMBL259820 | LGD-5552)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)c3F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C28H26FNO3/c1-15-7-6-8-17(26(15)29)13-22-24-18(25-21(33-22)12-11-20(31)27(25)32-5)9-10-19-23(24)16(2)14-28(3,4)30-19/h6-14,30-31H,1-5H3/b22-13-
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor expressed in SF9 cells


Proc Natl Acad Sci USA 104: 19244-9 (2007)


Article DOI: 10.1073/pnas.0705517104
BindingDB Entry DOI: 10.7270/Q21N820B
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50376852
PNG
(CHEMBL259820 | LGD-5552)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)c3F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C28H26FNO3/c1-15-7-6-8-17(26(15)29)13-22-24-18(25-21(33-22)12-11-20(31)27(25)32-5)9-10-19-23(24)16(2)14-28(3,4)30-19/h6-14,30-31H,1-5H3/b22-13-
PDB
MMDB

KEGG

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
149n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant mineralocorticoid receptor expressed in SF9 cells


Proc Natl Acad Sci USA 104: 19244-9 (2007)


Article DOI: 10.1073/pnas.0705517104
BindingDB Entry DOI: 10.7270/Q21N820B
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50376852
PNG
(CHEMBL259820 | LGD-5552)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)c3F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C28H26FNO3/c1-15-7-6-8-17(26(15)29)13-22-24-18(25-21(33-22)12-11-20(31)27(25)32-5)9-10-19-23(24)16(2)14-28(3,4)30-19/h6-14,30-31H,1-5H3/b22-13-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
866n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant progesterone-A receptor expressed in SF9 cells


Proc Natl Acad Sci USA 104: 19244-9 (2007)


Article DOI: 10.1073/pnas.0705517104
BindingDB Entry DOI: 10.7270/Q21N820B
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50376852
PNG
(CHEMBL259820 | LGD-5552)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)c3F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C28H26FNO3/c1-15-7-6-8-17(26(15)29)13-22-24-18(25-21(33-22)12-11-20(31)27(25)32-5)9-10-19-23(24)16(2)14-28(3,4)30-19/h6-14,30-31H,1-5H3/b22-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
910n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant androgen receptor expressed in SF9 cells


Proc Natl Acad Sci USA 104: 19244-9 (2007)


Article DOI: 10.1073/pnas.0705517104
BindingDB Entry DOI: 10.7270/Q21N820B
More data for this
Ligand-Target Pair