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BDBM50072701 9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene::CHEMBL286446

SMILES: CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12

InChI Key: InChIKey=IDGIKWDCKXJAES-UHFFFAOYSA-N

Data: 4 KI  4 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 8 hits for monomerid = 50072701   
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))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
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0.440n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.440n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against baculovirus expressed Progesterone receptor


J Med Chem 42: 1466-72 (1999)


Article DOI: 10.1021/jm980723h
BindingDB Entry DOI: 10.7270/Q2NK3FQ9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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367n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of Dexamethasone from human glucocorticoid receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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621n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of DHT from human androgen receptor


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
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n/an/an/an/a 3.20n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against hPR (human progesterone receptor) compared to that of progesterone (100%)


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonistic activity by cotransfection assay against human Progesterone receptor in T47D cells


J Med Chem 42: 1466-72 (1999)


Article DOI: 10.1021/jm980723h
BindingDB Entry DOI: 10.7270/Q2NK3FQ9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.20n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for agonistic activity by cotransfection assay against human Progesterone receptor in CV-1 cells


J Med Chem 42: 1466-72 (1999)


Article DOI: 10.1021/jm980723h
BindingDB Entry DOI: 10.7270/Q2NK3FQ9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072701
PNG
(9-Chloro-2,2,4,5-tetramethyl-2,5-dihydro-1H-6-oxa-...)
Show SMILES CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
Show InChI InChI=1S/C20H20ClNO/c1-11-10-20(3,4)22-16-7-6-14-15-9-13(21)5-8-17(15)23-12(2)19(14)18(11)16/h5-10,12,22H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)


Bioorg Med Chem Lett 8: 3365-70 (1999)


BindingDB Entry DOI: 10.7270/Q2BC402X
More data for this
Ligand-Target Pair