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BDBM19199 (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](3,4-difluoro-5-methoxyphenyl)methanol::CHEMBL313062::N-Arylpyrazolo[3,2-c]-Based Ligand, 18

SMILES: [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1

InChI Key: InChIKey=MFEARMWUWKRDRV-BQQUOAEZSA-N

Data: 4 IC50  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 19199   
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))
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
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Article
PubMed
n/an/a 1.90n/a 14.4n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled progesterone in the presence of full log scale concentrations (10-11 M to 10-...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
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Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled aldosterone in the presence of full log scale concentrations (10-11 M to 10-6...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
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Article
PubMed
n/an/an/an/a 521n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 cells


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 14.4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in human A549 lung carcinoma cells


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone


Bioorg Med Chem Lett 15: 2163-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.009
BindingDB Entry DOI: 10.7270/Q2WM1CXX
More data for this
Ligand-Target Pair