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BDBM50326959 1,1,1-Trifluoro-4-(4-methoxybiphenyl-3-yl)-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentan-2-ol::CHEMBL1254080

SMILES: COc1ccc(cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1ccccc1

InChI Key: InChIKey=BFWRCRIDNKRGTD-UHFFFAOYSA-N

Data: 4 IC50  1 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 5 hits for monomerid = 50326959   
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))
BDBM50326959
PNG
(1,1,1-Trifluoro-4-(4-methoxybiphenyl-3-yl)-4-methy...)
Show SMILES COc1ccc(cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C27H27F3N2O2/c1-25(2,22-14-19(9-10-24(22)34-3)18-7-5-4-6-8-18)17-26(33,27(28,29)30)15-21-13-20-11-12-31-16-23(20)32-21/h4-14,16,32-33H,15,17H2,1-3H3
PDB

KEGG

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PC sid
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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluore...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326959
PNG
(1,1,1-Trifluoro-4-(4-methoxybiphenyl-3-yl)-4-methy...)
Show SMILES COc1ccc(cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C27H27F3N2O2/c1-25(2,22-14-19(9-10-24(22)34-3)18-7-5-4-6-8-18)17-26(33,27(28,29)30)15-21-13-20-11-12-31-16-23(20)32-21/h4-14,16,32-33H,15,17H2,1-3H3
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PC sid
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Article
PubMed
n/an/an/an/a 69n/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in HFF assessed as induction of aromatase activity after 18 to 24 hrs by ELISA


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50326959
PNG
(1,1,1-Trifluoro-4-(4-methoxybiphenyl-3-yl)-4-methy...)
Show SMILES COc1ccc(cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C27H27F3N2O2/c1-25(2,22-14-19(9-10-24(22)34-3)18-7-5-4-6-8-18)17-26(33,27(28,29)30)15-21-13-20-11-12-31-16-23(20)32-21/h4-14,16,32-33H,15,17H2,1-3H3
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50326959
PNG
(1,1,1-Trifluoro-4-(4-methoxybiphenyl-3-yl)-4-methy...)
Show SMILES COc1ccc(cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C27H27F3N2O2/c1-25(2,22-14-19(9-10-24(22)34-3)18-7-5-4-6-8-18)17-26(33,27(28,29)30)15-21-13-20-11-12-31-16-23(20)32-21/h4-14,16,32-33H,15,17H2,1-3H3
PDB

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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled RU-486 by fluorescence po...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326959
PNG
(1,1,1-Trifluoro-4-(4-methoxybiphenyl-3-yl)-4-methy...)
Show SMILES COc1ccc(cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C27H27F3N2O2/c1-25(2,22-14-19(9-10-24(22)34-3)18-7-5-4-6-8-18)17-26(33,27(28,29)30)15-21-13-20-11-12-31-16-23(20)32-21/h4-14,16,32-33H,15,17H2,1-3H3
PDB
MMDB

KEGG

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UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair