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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50086546'   
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))
BDBM50086546
PNG
(4-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-8-17(2,3)19-16-5-4-12(7-15(11)16)13-6-14(9-18)20-10-13/h4-8,10,19H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
3.5n/an/an/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50086546
PNG
(4-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-8-17(2,3)19-16-5-4-12(7-15(11)16)13-6-14(9-18)20-10-13/h4-8,10,19H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
3.5n/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))
BDBM50086546
PNG
(4-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-8-17(2,3)19-16-5-4-12(7-15(11)16)13-6-14(9-18)20-10-13/h4-8,10,19H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 24n/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))
BDBM50086546
PNG
(4-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-8-17(2,3)19-16-5-4-12(7-15(11)16)13-6-14(9-18)20-10-13/h4-8,10,19H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 106n/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))
BDBM50086546
PNG
(4-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-8-17(2,3)19-16-5-4-12(7-15(11)16)13-6-14(9-18)20-10-13/h4-8,10,19H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/an/an/a 245n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity 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
Progesterone receptor


(Homo sapiens (Human))
BDBM50086546
PNG
(4-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-8-17(2,3)19-16-5-4-12(7-15(11)16)13-6-14(9-18)20-10-13/h4-8,10,19H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/an/an/a 1.80E+3n/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