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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50086549'   
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))
BDBM50086549
PNG
(3-Bromo-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6-...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(Br)c(s1)C#N |t:1|
Show InChI InChI=1S/C17H15BrN2S/c1-10-8-17(2,3)20-14-5-4-11(6-12(10)14)15-7-13(18)16(9-19)21-15/h4-8,20H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
249n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human progesterone receptor (hPR) in a competitive binding assay


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086549
PNG
(3-Bromo-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6-...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(Br)c(s1)C#N |t:1|
Show InChI InChI=1S/C17H15BrN2S/c1-10-8-17(2,3)20-14-5-4-11(6-12(10)14)15-7-13(18)16(9-19)21-15/h4-8,20H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
251n/an/an/an/an/an/an/an/a



Scientific Computing Ltd.

Curated by ChEMBL


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


J Med Chem 49: 4261-8 (2006)


Article DOI: 10.1021/jm060234e
BindingDB Entry DOI: 10.7270/Q2V69NB6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086549
PNG
(3-Bromo-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6-...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(Br)c(s1)C#N |t:1|
Show InChI InChI=1S/C17H15BrN2S/c1-10-8-17(2,3)20-14-5-4-11(6-12(10)14)15-7-13(18)16(9-19)21-15/h4-8,20H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 242n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) using cotransfection assay in CV-1 cells


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086549
PNG
(3-Bromo-5-(2,2,4-trimethyl-1,2-dihydro-quinolin-6-...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(Br)c(s1)C#N |t:1|
Show InChI InChI=1S/C17H15BrN2S/c1-10-8-17(2,3)20-14-5-4-11(6-12(10)14)15-7-13(18)16(9-19)21-15/h4-8,20H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 250n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair