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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50375816'   
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))
BDBM50375816
PNG
(CHEMBL407622)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)C3(CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H17N3O/c1-21-13(11-19)5-7-16(21)12-4-6-15-14(10-12)18(17(22)20-15)8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(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 8.10n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50375816
PNG
(CHEMBL407622)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)C3(CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H17N3O/c1-21-13(11-19)5-7-16(21)12-4-6-15-14(10-12)18(17(22)20-15)8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(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 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))
BDBM50375816
PNG
(CHEMBL407622)
Show SMILES Cn1c(ccc1-c1ccc2NC(=O)C3(CCCC3)c2c1)C#N
Show InChI InChI=1S/C18H17N3O/c1-21-13(11-19)5-7-16(21)12-4-6-15-14(10-12)18(17(22)20-15)8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 300n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human PR expressed in human T47D cells assessed as stimulation of 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