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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50110498'   
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))
BDBM50110498
PNG
(5-(2,4,4-Trimethyl-1,4-dihydro-2H-benzo[d][1,3]oxa...)
Show SMILES CC1Nc2ccc(cc2C(C)(C)O1)-c1ccc(s1)C#N
Show InChI InChI=1S/C16H16N2OS/c1-10-18-14-6-4-11(8-13(14)16(2,3)19-10)15-7-5-12(9-17)20-15/h4-8,10,18H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 27n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against progesterone receptor using human T47D breast carcinoma cell line


Bioorg Med Chem Lett 12: 787-90 (2002)


BindingDB Entry DOI: 10.7270/Q2WS8TSW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50110498
PNG
(5-(2,4,4-Trimethyl-1,4-dihydro-2H-benzo[d][1,3]oxa...)
Show SMILES CC1Nc2ccc(cc2C(C)(C)O1)-c1ccc(s1)C#N
Show InChI InChI=1S/C16H16N2OS/c1-10-18-14-6-4-11(8-13(14)16(2,3)19-10)15-7-5-12(9-17)20-15/h4-8,10,18H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 1.10n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonistic activity against progesterone receptor in alkaline phosphatase assay using human T47D breast carcinoma cell line


Bioorg Med Chem Lett 12: 787-90 (2002)


BindingDB Entry DOI: 10.7270/Q2WS8TSW
More data for this
Ligand-Target Pair