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SMILES: CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N

InChI Key: InChIKey=POQODJWQWWICOY-UHFFFAOYSA-N

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 10 hits for monomerid = 50066526   
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50066526
PNG
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3
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10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50066526
PNG
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3
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Article
PubMed
10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Baculovirus-Expressed hPR-A


J Med Chem 41: 3461-6 (1998)


Article DOI: 10.1021/jm9801915
BindingDB Entry DOI: 10.7270/Q2KD1ZKM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50066526
PNG
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3
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10n/an/an/an/an/an/an/an/a



Scientific Computing Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from Progesterone receptor


J Med Chem 49: 4261-8 (2006)


Article DOI: 10.1021/jm060234e
BindingDB Entry DOI: 10.7270/Q2V69NB6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50066526
PNG
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3
PDB

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n/an/a 37n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonistic activity against Progesterone receptor (PR) in transcriptional activation assay in human T47D breast carcinoma cell line


Bioorg Med Chem Lett 12: 787-90 (2002)


BindingDB Entry DOI: 10.7270/Q2WS8TSW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50066526
PNG
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3
PDB

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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro antagonist activity against human progesterone receptor isoform B(hPR-B) in mammalian(CV-1) cells


J Med Chem 41: 3461-6 (1998)


Article DOI: 10.1021/jm9801915
BindingDB Entry DOI: 10.7270/Q2KD1ZKM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50066526
PNG
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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PubMed
n/an/a 30n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50066526
PNG
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


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PubMed
n/an/a 37n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50066526
PNG
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) using cotransfection assay in CV-1 cells


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50066526
PNG
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3
PDB
MMDB

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



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Cross-reactivity as binding to human mineralocorticoid receptor (hMR)


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50066526
PNG
(3-Fluoro-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
Show InChI InChI=1S/C19H17FN2/c1-12-10-19(2,3)22-18-5-4-14(9-17(12)18)15-6-13(11-21)7-16(20)8-15/h4-10,22H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


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PubMed
n/an/a 210n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Cross-reactivity as binding to human androgen receptor (hAR)


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair