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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 358.4
BDBM50110519

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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))
BDBM50110519
PNG
(3-(4,4-Dimethyl-2-phenyl-1,4-dihydro-2H-benzo[d][1...)
Show SMILES CC1(C)OC(Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1ccccc1
Show InChI InChI=1S/C23H19FN2O/c1-23(2)20-13-17(18-10-15(14-25)11-19(24)12-18)8-9-21(20)26-22(27-23)16-6-4-3-5-7-16/h3-13,22,26H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 93n/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))
BDBM50110519
PNG
(3-(4,4-Dimethyl-2-phenyl-1,4-dihydro-2H-benzo[d][1...)
Show SMILES CC1(C)OC(Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1ccccc1
Show InChI InChI=1S/C23H19FN2O/c1-23(2)20-13-17(18-10-15(14-25)11-19(24)12-18)8-9-21(20)26-22(27-23)16-6-4-3-5-7-16/h3-13,22,26H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.06E+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))
BDBM50110519
PNG
(3-(4,4-Dimethyl-2-phenyl-1,4-dihydro-2H-benzo[d][1...)
Show SMILES CC1(C)OC(Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1ccccc1
Show InChI InChI=1S/C23H19FN2O/c1-23(2)20-13-17(18-10-15(14-25)11-19(24)12-18)8-9-21(20)26-22(27-23)16-6-4-3-5-7-16/h3-13,22,26H,1-2H3
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