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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50086541'   
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))
BDBM50086541
PNG
(3-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccsc1C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-9-17(2,3)19-15-5-4-12(8-14(11)15)13-6-7-20-16(13)10-18/h4-9,19H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
>100n/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))
BDBM50086541
PNG
(3-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccsc1C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-9-17(2,3)19-15-5-4-12(8-14(11)15)13-6-7-20-16(13)10-18/h4-9,19H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 278n/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))
BDBM50086541
PNG
(3-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-thio...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1ccsc1C#N |t:1|
Show InChI InChI=1S/C17H16N2S/c1-11-9-17(2,3)19-15-5-4-12(8-14(11)15)13-6-7-20-16(13)10-18/h4-9,19H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 318n/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