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BDBM50272523 (11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl (1S)-1-phenylethylcarbamate::CHEMBL500897

SMILES: C[C@H](NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO)c1ccccc1

InChI Key: InChIKey=BLPNJKOYOIDEJJ-KIUPRAQXSA-N

Data: 2 IC50  2 EC50

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

Found 4 hits for monomerid = 50272523   
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))
BDBM50272523
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES C[C@H](NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO)c1ccccc1 |r,c:18,t:14|
Show InChI InChI=1S/C31H38FNO6/c1-18-14-24-23-11-10-21-15-22(35)12-13-28(21,3)30(23,32)25(36)16-29(24,4)31(18,26(37)17-34)39-27(38)33-19(2)20-8-6-5-7-9-20/h5-9,12-13,15,18-19,23-25,34,36H,10-11,14,16-17H2,1-4H3,(H,33,38)/t18-,19-,23-,24-,25-,28-,29-,30-,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


Bioorg Med Chem 16: 7535-42 (2008)


Article DOI: 10.1016/j.bmc.2008.07.037
BindingDB Entry DOI: 10.7270/Q2CC10HX
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50272523
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES C[C@H](NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO)c1ccccc1 |r,c:18,t:14|
Show InChI InChI=1S/C31H38FNO6/c1-18-14-24-23-11-10-21-15-22(35)12-13-28(21,3)30(23,32)25(36)16-29(24,4)31(18,26(37)17-34)39-27(38)33-19(2)20-8-6-5-7-9-20/h5-9,12-13,15,18-19,23-25,34,36H,10-11,14,16-17H2,1-4H3,(H,33,38)/t18-,19-,23-,24-,25-,28-,29-,30-,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 176n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


Bioorg Med Chem 16: 7535-42 (2008)


Article DOI: 10.1016/j.bmc.2008.07.037
BindingDB Entry DOI: 10.7270/Q2CC10HX
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50272523
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES C[C@H](NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO)c1ccccc1 |r,c:18,t:14|
Show InChI InChI=1S/C31H38FNO6/c1-18-14-24-23-11-10-21-15-22(35)12-13-28(21,3)30(23,32)25(36)16-29(24,4)31(18,26(37)17-34)39-27(38)33-19(2)20-8-6-5-7-9-20/h5-9,12-13,15,18-19,23-25,34,36H,10-11,14,16-17H2,1-4H3,(H,33,38)/t18-,19-,23-,24-,25-,28-,29-,30-,31-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 4.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)


Article DOI: 10.1016/j.bmc.2008.07.037
BindingDB Entry DOI: 10.7270/Q2CC10HX
More data for this
Ligand-Target Pair
Tyrosine aminotransferase


(Rattus norvegicus)
BDBM50272523
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES C[C@H](NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO)c1ccccc1 |r,c:18,t:14|
Show InChI InChI=1S/C31H38FNO6/c1-18-14-24-23-11-10-21-15-22(35)12-13-28(21,3)30(23,32)25(36)16-29(24,4)31(18,26(37)17-34)39-27(38)33-19(2)20-8-6-5-7-9-20/h5-9,12-13,15,18-19,23-25,34,36H,10-11,14,16-17H2,1-4H3,(H,33,38)/t18-,19-,23-,24-,25-,28-,29-,30-,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 37.3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity of tyrosine amino transferase in rat H4 cells


Bioorg Med Chem 16: 7535-42 (2008)


Article DOI: 10.1016/j.bmc.2008.07.037
BindingDB Entry DOI: 10.7270/Q2CC10HX
More data for this
Ligand-Target Pair