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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50375817'   
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))
BDBM50375817
PNG
(CHEMBL272663)
Show SMILES CCC1(CC)C(=O)Nc2ccc(cc12)-c1ccc(C#N)n1C
Show InChI InChI=1S/C18H19N3O/c1-4-18(5-2)14-10-12(6-8-15(14)20-17(18)22)16-9-7-13(11-19)21(16)3/h6-10H,4-5H2,1-3H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50375817
PNG
(CHEMBL272663)
Show SMILES CCC1(CC)C(=O)Nc2ccc(cc12)-c1ccc(C#N)n1C
Show InChI InChI=1S/C18H19N3O/c1-4-18(5-2)14-10-12(6-8-15(14)20-17(18)22)16-9-7-13(11-19)21(16)3/h6-10H,4-5H2,1-3H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay


J Med Chem 51: 1861-73 (2008)


Article DOI: 10.1021/jm701080t
BindingDB Entry DOI: 10.7270/Q2G44R56
More data for this
Ligand-Target Pair