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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50062409'   
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))
BDBM50062409
PNG
(5-(4-Bromo-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Br)cc4)c3c12 |t:1|
Show InChI InChI=1S/C25H22BrNO/c1-15-14-25(2,3)27-20-13-12-19-18-6-4-5-7-21(18)28-24(23(19)22(15)20)16-8-10-17(26)11-9-16/h4-14,24,27H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.550n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was determined on Human progesterone receptor (hPR-A) using progesterone as radioligand.


J Med Chem 41: 291-302 (1998)


Article DOI: 10.1021/jm9705768
BindingDB Entry DOI: 10.7270/Q29W0DMD
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062409
PNG
(5-(4-Bromo-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Br)cc4)c3c12 |t:1|
Show InChI InChI=1S/C25H22BrNO/c1-15-14-25(2,3)27-20-13-12-19-18-6-4-5-7-21(18)28-24(23(19)22(15)20)16-8-10-17(26)11-9-16/h4-14,24,27H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.14E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity was determined in Human progesterone receptor(hPR) of CV-1 cells in cotransfection assay.


J Med Chem 41: 291-302 (1998)


Article DOI: 10.1021/jm9705768
BindingDB Entry DOI: 10.7270/Q29W0DMD
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50062409
PNG
(5-(4-Bromo-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H-...)
Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Br)cc4)c3c12 |t:1|
Show InChI InChI=1S/C25H22BrNO/c1-15-14-25(2,3)27-20-13-12-19-18-6-4-5-7-21(18)28-24(23(19)22(15)20)16-8-10-17(26)11-9-16/h4-14,24,27H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonistic activity to the human progesterone receptor(hPR)assayed in CV-1 cells in cotransfection assay.


J Med Chem 41: 291-302 (1998)


Article DOI: 10.1021/jm9705768
BindingDB Entry DOI: 10.7270/Q29W0DMD
More data for this
Ligand-Target Pair