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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50110504'   
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))
BDBM50110504
PNG
(3-(2-tert-Butyl-4,4-dimethyl-1,4-dihydro-2H-benzo[...)
Show SMILES CC(C)(C)C1Nc2ccc(cc2C(C)(C)O1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C21H23FN2O/c1-20(2,3)19-24-18-7-6-14(11-17(18)21(4,5)25-19)15-8-13(12-23)9-16(22)10-15/h6-11,19,24H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 127n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonistic activity against Progesterone receptor (PR) in transcriptional activation assay in human T47D breast carcinoma cell line


Bioorg Med Chem Lett 12: 787-90 (2002)


BindingDB Entry DOI: 10.7270/Q2WS8TSW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50110504
PNG
(3-(2-tert-Butyl-4,4-dimethyl-1,4-dihydro-2H-benzo[...)
Show SMILES CC(C)(C)C1Nc2ccc(cc2C(C)(C)O1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C21H23FN2O/c1-20(2,3)19-24-18-7-6-14(11-17(18)21(4,5)25-19)15-8-13(12-23)9-16(22)10-15/h6-11,19,24H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 3.04E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic activity against progesterone receptor in alkaline phosphatase assay using human T47D breast carcinoma cell line


Bioorg Med Chem Lett 12: 787-90 (2002)


BindingDB Entry DOI: 10.7270/Q2WS8TSW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50110504
PNG
(3-(2-tert-Butyl-4,4-dimethyl-1,4-dihydro-2H-benzo[...)
Show SMILES CC(C)(C)C1Nc2ccc(cc2C(C)(C)O1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C21H23FN2O/c1-20(2,3)19-24-18-7-6-14(11-17(18)21(4,5)25-19)15-8-13(12-23)9-16(22)10-15/h6-11,19,24H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic activity against progesterone receptor in alkaline phosphatase assay using human T47D breast carcinoma cell line


Bioorg Med Chem Lett 12: 787-90 (2002)


BindingDB Entry DOI: 10.7270/Q2WS8TSW
More data for this
Ligand-Target Pair