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PubMed code 16078826

Compile data set for download or QSAR
Found 7 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))
BDBM50118694
PNG
(4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1coc(c1)C#N
Show InChI InChI=1S/C15H12N2O3/c1-15(2)12-6-9(10-5-11(7-16)19-8-10)3-4-13(12)17-14(18)20-15/h3-6,8H,1-2H3,(H,17,18)
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Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 48: 5092-5 (2005)


Article DOI: 10.1021/jm050358b
BindingDB Entry DOI: 10.7270/Q2FF3RXG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50118696
PNG
(5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(c1)C#N
Show InChI InChI=1S/C17H13FN2O2/c1-17(2)13-8-11(4-6-15(13)20-16(21)22-17)10-3-5-14(18)12(7-10)9-19/h3-8H,1-2H3,(H,20,21)
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 48: 5092-5 (2005)


Article DOI: 10.1021/jm050358b
BindingDB Entry DOI: 10.7270/Q2FF3RXG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50118700
PNG
(6-(3-Chloro-phenyl)-4,4-dimethyl-1,4-dihydro-benzo...)
Show SMILES CC1(C)OC(=O)Nc2ccc(cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H14ClNO2/c1-16(2)13-9-11(10-4-3-5-12(17)8-10)6-7-14(13)18-15(19)20-16/h3-9H,1-2H3,(H,18,19)
PDB

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CHEMBL
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UniChem

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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 48: 5092-5 (2005)


Article DOI: 10.1021/jm050358b
BindingDB Entry DOI: 10.7270/Q2FF3RXG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50066523
PNG
(2,2,4-Trimethyl-6-(3-nitro-phenyl)-1,2-dihydro-qui...)
Show SMILES CC1=CC(C)(C)Nc2ccc(cc12)-c1cccc(c1)[N+]([O-])=O |t:1|
Show InChI InChI=1S/C18H18N2O2/c1-12-11-18(2,3)19-17-8-7-14(10-16(12)17)13-5-4-6-15(9-13)20(21)22/h4-11,19H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 48: 5092-5 (2005)


Article DOI: 10.1021/jm050358b
BindingDB Entry DOI: 10.7270/Q2FF3RXG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50121156
PNG
(5-(3-Chloro-phenyl)-3,3-dimethyl-1,3-dihydro-indol...)
Show SMILES CC1(C)C(=O)Nc2ccc(cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H14ClNO/c1-16(2)13-9-11(6-7-14(13)18-15(16)19)10-4-3-5-12(17)8-10/h3-9H,1-2H3,(H,18,19)
PDB

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Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 48: 5092-5 (2005)


Article DOI: 10.1021/jm050358b
BindingDB Entry DOI: 10.7270/Q2FF3RXG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50105565
PNG
(6-(3-Chloro-phenyl)-1-isopropyl-1,3-dihydro-benzoi...)
Show SMILES CC(C)n1c2cc(ccc2[nH]c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H15ClN2O/c1-10(2)19-15-9-12(6-7-14(15)18-16(19)20)11-4-3-5-13(17)8-11/h3-10H,1-2H3,(H,18,20)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 48: 5092-5 (2005)


Article DOI: 10.1021/jm050358b
BindingDB Entry DOI: 10.7270/Q2FF3RXG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50105566
PNG
(6-(3-Nitro-phenyl)-3H-benzothiazol-2-one | CHEMBL3...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc2[n-]c(=[OH+])sc2c1
Show InChI InChI=1S/C13H8N2O3S/c16-13-14-11-5-4-9(7-12(11)19-13)8-2-1-3-10(6-8)15(17)18/h1-7H,(H,14,16)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Women's Health Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 48: 5092-5 (2005)


Article DOI: 10.1021/jm050358b
BindingDB Entry DOI: 10.7270/Q2FF3RXG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%