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BDBM50129173 7,9-Difluoro-2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-6-oxa-1-aza-chrysene::CHEMBL63788

SMILES: CC1CC(C)(C)Nc2ccc-3c(COc4c(F)cc(F)cc-34)c12

InChI Key: InChIKey=QWPDENUMNMUTHR-UHFFFAOYSA-N

Data: 1 KI  2 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 4 hits for monomerid = 50129173   
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))
BDBM50129173
PNG
(7,9-Difluoro-2,2,4-trimethyl-2,3,4,5-tetrahydro-1H...)
Show SMILES CC1CC(C)(C)Nc2ccc-3c(COc4c(F)cc(F)cc-34)c12
Show InChI InChI=1S/C19H19F2NO/c1-10-8-19(2,3)22-16-5-4-12-13-6-11(20)7-15(21)18(13)23-9-14(12)17(10)16/h4-7,10,22H,8-9H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
45n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor activation in T47D human breast cancer cell.


Bioorg Med Chem Lett 13: 2075-8 (2003)


BindingDB Entry DOI: 10.7270/Q2P55P2M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50129173
PNG
(7,9-Difluoro-2,2,4-trimethyl-2,3,4,5-tetrahydro-1H...)
Show SMILES CC1CC(C)(C)Nc2ccc-3c(COc4c(F)cc(F)cc-34)c12
Show InChI InChI=1S/C19H19F2NO/c1-10-8-19(2,3)22-16-5-4-12-13-6-11(20)7-15(21)18(13)23-9-14(12)17(10)16/h4-7,10,22H,8-9H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity at human progesterone receptor in CV-1 cells.


Bioorg Med Chem Lett 13: 2075-8 (2003)


BindingDB Entry DOI: 10.7270/Q2P55P2M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50129173
PNG
(7,9-Difluoro-2,2,4-trimethyl-2,3,4,5-tetrahydro-1H...)
Show SMILES CC1CC(C)(C)Nc2ccc-3c(COc4c(F)cc(F)cc-34)c12
Show InChI InChI=1S/C19H19F2NO/c1-10-8-19(2,3)22-16-5-4-12-13-6-11(20)7-15(21)18(13)23-9-14(12)17(10)16/h4-7,10,22H,8-9H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 217n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor activation in T47D human breast cancer cell.


Bioorg Med Chem Lett 13: 2075-8 (2003)


BindingDB Entry DOI: 10.7270/Q2P55P2M
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50129173
PNG
(7,9-Difluoro-2,2,4-trimethyl-2,3,4,5-tetrahydro-1H...)
Show SMILES CC1CC(C)(C)Nc2ccc-3c(COc4c(F)cc(F)cc-34)c12
Show InChI InChI=1S/C19H19F2NO/c1-10-8-19(2,3)22-16-5-4-12-13-6-11(20)7-15(21)18(13)23-9-14(12)17(10)16/h4-7,10,22H,8-9H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 147n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of antagonist activity towards human androgen receptor


Bioorg Med Chem Lett 13: 2075-8 (2003)


BindingDB Entry DOI: 10.7270/Q2P55P2M
More data for this
Ligand-Target Pair