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SMILES: CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N

InChI Key: InChIKey=BZNHAHNOAXOEDO-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50318943   
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50318943
PNG
(4-(2,4-diethyl-1-(2-hydroxyethyl)-1H-pyrrol-3-ylox...)
Show SMILES CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H20N2O2/c1-3-14-12-19(9-10-20)16(4-2)17(14)21-15-7-5-13(11-18)6-8-15/h5-8,12,20H,3-4,9-10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 131n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-indu...


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50318943
PNG
(4-(2,4-diethyl-1-(2-hydroxyethyl)-1H-pyrrol-3-ylox...)
Show SMILES CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H20N2O2/c1-3-14-12-19(9-10-20)16(4-2)17(14)21-15-7-5-13(11-18)6-8-15/h5-8,12,20H,3-4,9-10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50318943
PNG
(4-(2,4-diethyl-1-(2-hydroxyethyl)-1H-pyrrol-3-ylox...)
Show SMILES CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H20N2O2/c1-3-14-12-19(9-10-20)16(4-2)17(14)21-15-7-5-13(11-18)6-8-15/h5-8,12,20H,3-4,9-10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Inhibition of mineralocorticoid receptor


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50318943
PNG
(4-(2,4-diethyl-1-(2-hydroxyethyl)-1H-pyrrol-3-ylox...)
Show SMILES CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H20N2O2/c1-3-14-12-19(9-10-20)16(4-2)17(14)21-15-7-5-13(11-18)6-8-15/h5-8,12,20H,3-4,9-10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50318943
PNG
(4-(2,4-diethyl-1-(2-hydroxyethyl)-1H-pyrrol-3-ylox...)
Show SMILES CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C17H20N2O2/c1-3-14-12-19(9-10-20)16(4-2)17(14)21-15-7-5-13(11-18)6-8-15/h5-8,12,20H,3-4,9-10H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer PharmaTherapeutics Division

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor


Bioorg Med Chem Lett 20: 3384-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.018
BindingDB Entry DOI: 10.7270/Q2NK3F6K
More data for this
Ligand-Target Pair