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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50072711'   
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))
BDBM50072711
PNG
(5-(4-Chloro-butyl)-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CCCCCl)c3c12 |t:1|
Show InChI InChI=1S/C23H26ClNO/c1-15-14-23(2,3)25-18-12-11-17-16-8-4-5-9-19(16)26-20(10-6-7-13-24)22(17)21(15)18/h4-5,8-9,11-12,14,20,25H,6-7,10,13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
3.20n/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))
BDBM50072711
PNG
(5-(4-Chloro-butyl)-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CCCCCl)c3c12 |t:1|
Show InChI InChI=1S/C23H26ClNO/c1-15-14-23(2,3)25-18-12-11-17-16-8-4-5-9-19(16)26-20(10-6-7-13-24)22(17)21(15)18/h4-5,8-9,11-12,14,20,25H,6-7,10,13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 33n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50072711
PNG
(5-(4-Chloro-butyl)-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CCCCCl)c3c12 |t:1|
Show InChI InChI=1S/C23H26ClNO/c1-15-14-23(2,3)25-18-12-11-17-16-8-4-5-9-19(16)26-20(10-6-7-13-24)22(17)21(15)18/h4-5,8-9,11-12,14,20,25H,6-7,10,13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 6.70E+3n/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