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PubMed code 16678409

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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))
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
PubMed
n/an/a 0.25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against PR beta-mediated transactivation of MMTV luciferase reporter gene in BacMam transduced progesterone-stimulated CV1 cells


Bioorg Med Chem Lett 16: 3777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.055
BindingDB Entry DOI: 10.7270/Q2HM59RZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50422864
PNG
(CHEMBL212466)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=NN(CCCC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H16F3N3O5S/c19-18(20,21)29-15-8-10-16(11-9-15)30(27,28)23-12-2-1-3-17(22-23)13-4-6-14(7-5-13)24(25)26/h4-11H,1-3,12H2
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PC cid
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UniChem
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PubMed
n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against PR beta-mediated transactivation of MMTV luciferase reporter gene in BacMam transduced progesterone-stimulated CV1 cells


Bioorg Med Chem Lett 16: 3777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.055
BindingDB Entry DOI: 10.7270/Q2HM59RZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50422867
PNG
(CHEMBL379847)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)N1CCCCC(=N1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H14Cl4N2O2S/c18-12-5-7-17(15(21)10-12)26(24,25)23-8-2-1-3-16(22-23)11-4-6-13(19)14(20)9-11/h4-7,9-10H,1-3,8H2
PDB

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UniChem
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PubMed
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against PR beta-mediated transactivation of MMTV luciferase reporter gene in BacMam transduced progesterone-stimulated CV1 cells


Bioorg Med Chem Lett 16: 3777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.055
BindingDB Entry DOI: 10.7270/Q2HM59RZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50422868
PNG
(CHEMBL379276)
Show SMILES Brc1ccc(s1)S(=O)(=O)N1CCCCC(=N1)c1cccc(Br)c1
Show InChI InChI=1S/C15H14Br2N2O2S2/c16-12-5-3-4-11(10-12)13-6-1-2-9-19(18-13)23(20,21)15-8-7-14(17)22-15/h3-5,7-8,10H,1-2,6,9H2
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Article
PubMed
n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against PR beta-mediated transactivation of MMTV luciferase reporter gene in BacMam transduced progesterone-stimulated CV1 cells


Bioorg Med Chem Lett 16: 3777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.055
BindingDB Entry DOI: 10.7270/Q2HM59RZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50422870
PNG
(CHEMBL380305)
Show SMILES Clc1ccc(cc1Cl)C1=NN(CCCC1)S(=O)(=O)c1ccc(Br)s1
Show InChI InChI=1S/C15H13BrCl2N2O2S2/c16-14-6-7-15(23-14)24(21,22)20-8-2-1-3-13(19-20)10-4-5-11(17)12(18)9-10/h4-7,9H,1-3,8H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against PR beta-mediated transactivation of MMTV luciferase reporter gene in BacMam transduced progesterone-stimulated CV1 cells


Bioorg Med Chem Lett 16: 3777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.055
BindingDB Entry DOI: 10.7270/Q2HM59RZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50422863
PNG
(CHEMBL212356)
Show SMILES Fc1ccccc1S(=O)(=O)N1CCCCC(=N1)c1ccc(cc1)C#N
Show InChI InChI=1S/C18H16FN3O2S/c19-16-5-1-2-7-18(16)25(23,24)22-12-4-3-6-17(21-22)15-10-8-14(13-20)9-11-15/h1-2,5,7-11H,3-4,6,12H2
PDB

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GoogleScholar
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PC cid
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UniChem
Article
PubMed
n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against PR beta-mediated transactivation of MMTV luciferase reporter gene in BacMam transduced progesterone-stimulated CV1 cells


Bioorg Med Chem Lett 16: 3777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.055
BindingDB Entry DOI: 10.7270/Q2HM59RZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50422869
PNG
(CHEMBL211535)
Show SMILES Fc1cccc(c1)C1=NN(CCCC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClFN2O2S/c18-14-7-9-16(10-8-14)24(22,23)21-11-2-1-6-17(20-21)13-4-3-5-15(19)12-13/h3-5,7-10,12H,1-2,6,11H2
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against PR beta-mediated transactivation of MMTV luciferase reporter gene in BacMam transduced progesterone-stimulated CV1 cells


Bioorg Med Chem Lett 16: 3777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.055
BindingDB Entry DOI: 10.7270/Q2HM59RZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50422866
PNG
(CHEMBL424874)
Show SMILES Clc1ccc(s1)S(=O)(=O)N1CCCCC(=N1)c1ccccc1Cl
Show InChI InChI=1S/C15H14Cl2N2O2S2/c16-12-6-2-1-5-11(12)13-7-3-4-10-19(18-13)23(20,21)15-9-8-14(17)22-15/h1-2,5-6,8-9H,3-4,7,10H2
PDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
Article
PubMed
n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against PR beta-mediated transactivation of MMTV luciferase reporter gene in BacMam transduced progesterone-stimulated CV1 cells


Bioorg Med Chem Lett 16: 3777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.055
BindingDB Entry DOI: 10.7270/Q2HM59RZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50422865
PNG
(CHEMBL213225)
Show SMILES Clc1ccc(cc1)C1=NN(CCCC1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H16Cl2N2O2S/c18-14-9-7-13(8-10-14)17-6-1-2-11-21(20-17)24(22,23)16-5-3-4-15(19)12-16/h3-5,7-10,12H,1-2,6,11H2
PDB

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PC cid
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UniChem

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Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against PR beta-mediated transactivation of MMTV luciferase reporter gene in BacMam transduced progesterone-stimulated CV1 cells


Bioorg Med Chem Lett 16: 3777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.055
BindingDB Entry DOI: 10.7270/Q2HM59RZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50422871
PNG
(CHEMBL211586)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCCCC(=N1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H18Cl2N2O2S/c1-13-16(20)8-5-10-18(13)25(23,24)22-11-3-2-9-17(21-22)14-6-4-7-15(19)12-14/h4-8,10,12H,2-3,9,11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
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UniChem

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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against PR beta-mediated transactivation of MMTV luciferase reporter gene in BacMam transduced progesterone-stimulated CV1 cells


Bioorg Med Chem Lett 16: 3777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.055
BindingDB Entry DOI: 10.7270/Q2HM59RZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%