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BDBM50129160 9-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene::9-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-chromeno[3,4-f]quinoline::CHEMBL65522

SMILES: COc1ccc2OCc3c(ccc4NC(C)(C)C=C(C)c34)-c2c1

InChI Key: InChIKey=GHHQOEGOQYZOJT-UHFFFAOYSA-N

Data: 2 KI  1 IC50  2 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 = 50129160   
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))
BDBM50129160
PNG
(9-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-a...)
Show SMILES COc1ccc2OCc3c(ccc4NC(C)(C)C=C(C)c34)-c2c1 |t:17|
Show InChI InChI=1S/C20H21NO2/c1-12-10-20(2,3)21-17-7-6-14-15-9-13(22-4)5-8-18(15)23-11-16(14)19(12)17/h5-10,21H,11H2,1-4H3
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KEGG

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Article
PubMed
85n/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))
BDBM50129160
PNG
(9-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-a...)
Show SMILES COc1ccc2OCc3c(ccc4NC(C)(C)C=C(C)c34)-c2c1 |t:17|
Show InChI InChI=1S/C20H21NO2/c1-12-10-20(2,3)21-17-7-6-14-15-9-13(22-4)5-8-18(15)23-11-16(14)19(12)17/h5-10,21H,11H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
86n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human progesterone receptor.


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))
BDBM50129160
PNG
(9-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-a...)
Show SMILES COc1ccc2OCc3c(ccc4NC(C)(C)C=C(C)c34)-c2c1 |t:17|
Show InChI InChI=1S/C20H21NO2/c1-12-10-20(2,3)21-17-7-6-14-15-9-13(22-4)5-8-18(15)23-11-16(14)19(12)17/h5-10,21H,11H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for human progesterone receptor 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))
BDBM50129160
PNG
(9-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-a...)
Show SMILES COc1ccc2OCc3c(ccc4NC(C)(C)C=C(C)c34)-c2c1 |t:17|
Show InChI InChI=1S/C20H21NO2/c1-12-10-20(2,3)21-17-7-6-14-15-9-13(22-4)5-8-18(15)23-11-16(14)19(12)17/h5-10,21H,11H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 187n/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))
BDBM50129160
PNG
(9-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-a...)
Show SMILES COc1ccc2OCc3c(ccc4NC(C)(C)C=C(C)c34)-c2c1 |t:17|
Show InChI InChI=1S/C20H21NO2/c1-12-10-20(2,3)21-17-7-6-14-15-9-13(22-4)5-8-18(15)23-11-16(14)19(12)17/h5-10,21H,11H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/an/an/a 170n/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