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BDBM50167808 1-(4-fluorophenyl)-4a-methyl-(4aS)-spiro[4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazole-5,2'-(dihydro[1,3]dioxolane)]::CHEMBL196509

SMILES: C[C@]12Cc3cnn(c3C=C1CCCC21OCCO1)-c1ccc(F)cc1

InChI Key: InChIKey=QVHBWRWKGYSOAM-IBGZPJMESA-N

Data: 6 IC50

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 6 hits for monomerid = 50167808   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50167808
PNG
(1-(4-fluorophenyl)-4a-methyl-(4aS)-spiro[4,4a,5,6,...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCCC21OCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c1-19-12-14-13-22-23(17-6-4-16(21)5-7-17)18(14)11-15(19)3-2-8-20(19)24-9-10-25-20/h4-7,11,13H,2-3,8-10,12H2,1H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human glucocorticoid receptor


Bioorg Med Chem Lett 15: 2926-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.027
BindingDB Entry DOI: 10.7270/Q2X34X0Q
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50167808
PNG
(1-(4-fluorophenyl)-4a-methyl-(4aS)-spiro[4,4a,5,6,...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCCC21OCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c1-19-12-14-13-22-23(17-6-4-16(21)5-7-17)18(14)11-15(19)3-2-8-20(19)24-9-10-25-20/h4-7,11,13H,2-3,8-10,12H2,1H3/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.56E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat mineralocorticoid receptor


Bioorg Med Chem Lett 15: 2926-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.027
BindingDB Entry DOI: 10.7270/Q2X34X0Q
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50167808
PNG
(1-(4-fluorophenyl)-4a-methyl-(4aS)-spiro[4,4a,5,6,...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCCC21OCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c1-19-12-14-13-22-23(17-6-4-16(21)5-7-17)18(14)11-15(19)3-2-8-20(19)24-9-10-25-20/h4-7,11,13H,2-3,8-10,12H2,1H3/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/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 15: 2926-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.027
BindingDB Entry DOI: 10.7270/Q2X34X0Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50167808
PNG
(1-(4-fluorophenyl)-4a-methyl-(4aS)-spiro[4,4a,5,6,...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCCC21OCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c1-19-12-14-13-22-23(17-6-4-16(21)5-7-17)18(14)11-15(19)3-2-8-20(19)24-9-10-25-20/h4-7,11,13H,2-3,8-10,12H2,1H3/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+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 15: 2926-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.027
BindingDB Entry DOI: 10.7270/Q2X34X0Q
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50167808
PNG
(1-(4-fluorophenyl)-4a-methyl-(4aS)-spiro[4,4a,5,6,...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCCC21OCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c1-19-12-14-13-22-23(17-6-4-16(21)5-7-17)18(14)11-15(19)3-2-8-20(19)24-9-10-25-20/h4-7,11,13H,2-3,8-10,12H2,1H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human progesterone receptor


Bioorg Med Chem Lett 15: 2926-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.027
BindingDB Entry DOI: 10.7270/Q2X34X0Q
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50167808
PNG
(1-(4-fluorophenyl)-4a-methyl-(4aS)-spiro[4,4a,5,6,...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCCC21OCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c1-19-12-14-13-22-23(17-6-4-16(21)5-7-17)18(14)11-15(19)3-2-8-20(19)24-9-10-25-20/h4-7,11,13H,2-3,8-10,12H2,1H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha isoform


Bioorg Med Chem Lett 15: 2926-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.027
BindingDB Entry DOI: 10.7270/Q2X34X0Q
More data for this
Ligand-Target Pair