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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50086550'   
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))
BDBM50086550
PNG
(4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...)
Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
Show InChI InChI=1S/C19H20N2OS/c1-11-8-13(10-20)23-16(11)12-6-7-15-14(9-12)18(2,3)17(22)19(4,5)21-15/h6-9,21H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
3.90n/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))
BDBM50086550
PNG
(4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...)
Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
Show InChI InChI=1S/C19H20N2OS/c1-11-8-13(10-20)23-16(11)12-6-7-15-14(9-12)18(2,3)17(22)19(4,5)21-15/h6-9,21H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.90n/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))
BDBM50086550
PNG
(4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...)
Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
Show InChI InChI=1S/C19H20N2OS/c1-11-8-13(10-20)23-16(11)12-6-7-15-14(9-12)18(2,3)17(22)19(4,5)21-15/h6-9,21H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human progesterone receptor by competitive assay


J Med Chem 58: 4918-26 (2015)


Article DOI: 10.1021/jm501758q
BindingDB Entry DOI: 10.7270/Q2WM1G4V
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50086550
PNG
(4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...)
Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
Show InChI InChI=1S/C19H20N2OS/c1-11-8-13(10-20)23-16(11)12-6-7-15-14(9-12)18(2,3)17(22)19(4,5)21-15/h6-9,21H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 10n/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))
BDBM50086550
PNG
(4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...)
Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
Show InChI InChI=1S/C19H20N2OS/c1-11-8-13(10-20)23-16(11)12-6-7-15-14(9-12)18(2,3)17(22)19(4,5)21-15/h6-9,21H,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 350n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Human progesterone receptor (hPR) agonist activity expressed 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