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BDBM50153502 1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-pentan-1-ol::CHEMBL186683

SMILES: CCCCC(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1

InChI Key: InChIKey=GYRHSGNAVIFNKG-FQXDTITESA-N

Data: 1 IC50  3 EC50

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 4 hits for monomerid = 50153502   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid


(RAT)
BDBM50153502
PNG
(1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6...)
Show SMILES CCCCC(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C23H29FN2O/c1-3-4-8-22(27)20-7-5-6-17-13-21-16(14-23(17,20)2)15-25-26(21)19-11-9-18(24)10-12-19/h9-13,15,20,22,27H,3-8,14H2,1-2H3/t20-,22?,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition against U2OS cells expressing rat Glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50153502
PNG
(1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6...)
Show SMILES CCCCC(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C23H29FN2O/c1-3-4-8-22(27)20-7-5-6-17-13-21-16(14-23(17,20)2)15-25-26(21)19-11-9-18(24)10-12-19/h9-13,15,20,22,27H,3-8,14H2,1-2H3/t20-,22?,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of California San Francisco

Curated by ChEMBL


Assay Description
Effective concentration against MMTV in transactivation assay in U2OS cells expressing rat GR


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50153502
PNG
(1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6...)
Show SMILES CCCCC(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C23H29FN2O/c1-3-4-8-22(27)20-7-5-6-17-13-21-16(14-23(17,20)2)15-25-26(21)19-11-9-18(24)10-12-19/h9-13,15,20,22,27H,3-8,14H2,1-2H3/t20-,22?,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Repression of NFkB-luciferase reporter activity in TPA stimulated U2OS cells expressing rat glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50153502
PNG
(1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6...)
Show SMILES CCCCC(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C23H29FN2O/c1-3-4-8-22(27)20-7-5-6-17-13-21-16(14-23(17,20)2)15-25-26(21)19-11-9-18(24)10-12-19/h9-13,15,20,22,27H,3-8,14H2,1-2H3/t20-,22?,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8n/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Repression of AP1-luciferase reporter activity in TPA-stimulated U2OS cells expressing rat glucocorticoid receptor


Bioorg Med Chem Lett 14: 5199-203 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.052
BindingDB Entry DOI: 10.7270/Q2G73D65
More data for this
Ligand-Target Pair