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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50072707'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Progesterone receptor


(Homo sapiens (Human))
BDBM50072707
PNG
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1|
Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3
PDB

KEGG

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PubMed
4.80n/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))
BDBM50072707
PNG
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1|
Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
36n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50072707
PNG
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1|
Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/an/an/a 561n/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))
BDBM50072707
PNG
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1|
Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/an/an/a 9n/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