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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' AND taxid = 10116   
Target
(Institution)
LigandTarget
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 (PR)


(Rattus norvegicus)
BDBM18656
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
3.30E+3 -29.1n/an/an/an/an/a7.04



Astellas Pharma Inc.



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...


J Med Chem 49: 716-26 (2006)

More data for this
Ligand-Target Pair
Progesterone Receptor (PR)


(Rattus norvegicus)
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
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CHEMBL
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KEGG
PC cid
PC sid
PDB
UniChem

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AffyNet 
Article
PubMed
7.20E+3 -27.3n/an/an/an/an/a7.04



Astellas Pharma Inc.



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...


J Med Chem 49: 716-26 (2006)

More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM50366382
PNG
(CHEMBL57078)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C(F)(F)F
Show InChI InChI=1S/C19H25F3O2/c1-17-8-6-14-13-5-3-12(23)10-11(13)2-4-15(14)16(17)7-9-18(17,24)19(20,21)22/h10,13-16,24H,2-9H2,1H3/t13-,14?,15?,16?,17-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus


Citation and Details
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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PDB
Article
n/an/a 3.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Rattus norvegicus)
BDBM50366381
PNG
(CHEMBL301446)
Show SMILES C[C@]12CCC3=C4CCC(=O)C=C4CCC3C1CC[C@@]2(O)C(F)(F)F
Show InChI InChI=1S/C19H23F3O2/c1-17-8-6-14-13-5-3-12(23)10-11(13)2-4-15(14)16(17)7-9-18(17,24)19(20,21)22/h10,15-16,24H,2-9H2,1H3/t15?,16?,17-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 4.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus


Citation and Details
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)
BDBM50366380
PNG
(CHEMBL56509)
Show SMILES C[C@]12C=CC3=C4CCC(=O)C=C4CCC3C1CC[C@@]2(O)C(F)(F)F
Show InChI InChI=1S/C19H21F3O2/c1-17-8-6-14-13-5-3-12(23)10-11(13)2-4-15(14)16(17)7-9-18(17,24)19(20,21)22/h6,8,10,15-16,24H,2-5,7,9H2,1H3/t15?,16?,17-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus


Citation and Details
More data for this
Ligand-Target Pair