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PubMed code 10543887

Compile data set for download or QSAR
Found 12 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoid X receptor gamma


(Mus musculus)
BDBM50082042
PNG
(CHEMBL139536 | N-(2,2,4,4-Tetramethyl-thiochroman-...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1ccc2SC(C)(C)CC(C)(C)c2c1
Show InChI InChI=1S/C22H25NO3S/c1-21(2)13-22(3,4)27-18-11-10-16(12-17(18)21)23-19(24)14-6-8-15(9-7-14)20(25)26-5/h6-12H,13H2,1-5H3,(H,23,24)
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n/an/an/an/a 302n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


Assay Description
Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor RXR gamma


J Med Chem 42: 4434-45 (1999)


Article DOI: 10.1021/jm990292i
BindingDB Entry DOI: 10.7270/Q2891530
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50082042
PNG
(CHEMBL139536 | N-(2,2,4,4-Tetramethyl-thiochroman-...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1ccc2SC(C)(C)CC(C)(C)c2c1
Show InChI InChI=1S/C22H25NO3S/c1-21(2)13-22(3,4)27-18-11-10-16(12-17(18)21)23-19(24)14-6-8-15(9-7-14)20(25)26-5/h6-12H,13H2,1-5H3,(H,23,24)
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n/an/an/an/a 68n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


Assay Description
Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor RXR beta


J Med Chem 42: 4434-45 (1999)


Article DOI: 10.1021/jm990292i
BindingDB Entry DOI: 10.7270/Q2891530
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50082041
PNG
(4-iminomethylphenyl 4,4-dimethyl-6-chromanecarboxy...)
Show SMILES CC1(C)CCOc2ccc(cc12)C(=O)Oc1ccc(C=NNC(N)=S)cc1
Show InChI InChI=1S/C20H21N3O3S/c1-20(2)9-10-25-17-8-5-14(11-16(17)20)18(24)26-15-6-3-13(4-7-15)12-22-23-19(21)27/h3-8,11-12H,9-10H2,1-2H3,(H3,21,23,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR beta


J Med Chem 42: 4434-45 (1999)


Article DOI: 10.1021/jm990292i
BindingDB Entry DOI: 10.7270/Q2891530
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50082041
PNG
(4-iminomethylphenyl 4,4-dimethyl-6-chromanecarboxy...)
Show SMILES CC1(C)CCOc2ccc(cc12)C(=O)Oc1ccc(C=NNC(N)=S)cc1
Show InChI InChI=1S/C20H21N3O3S/c1-20(2)9-10-25-17-8-5-14(11-16(17)20)18(24)26-15-6-3-13(4-7-15)12-22-23-19(21)27/h3-8,11-12H,9-10H2,1-2H3,(H3,21,23,27)
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n/an/an/an/a 42n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


Assay Description
Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor RXR gamma


J Med Chem 42: 4434-45 (1999)


Article DOI: 10.1021/jm990292i
BindingDB Entry DOI: 10.7270/Q2891530
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50082041
PNG
(4-iminomethylphenyl 4,4-dimethyl-6-chromanecarboxy...)
Show SMILES CC1(C)CCOc2ccc(cc12)C(=O)Oc1ccc(C=NNC(N)=S)cc1
Show InChI InChI=1S/C20H21N3O3S/c1-20(2)9-10-25-17-8-5-14(11-16(17)20)18(24)26-15-6-3-13(4-7-15)12-22-23-19(21)27/h3-8,11-12H,9-10H2,1-2H3,(H3,21,23,27)
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n/an/an/an/a 1.90E+3n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


Assay Description
Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor RXR beta


J Med Chem 42: 4434-45 (1999)


Article DOI: 10.1021/jm990292i
BindingDB Entry DOI: 10.7270/Q2891530
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50082042
PNG
(CHEMBL139536 | N-(2,2,4,4-Tetramethyl-thiochroman-...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1ccc2SC(C)(C)CC(C)(C)c2c1
Show InChI InChI=1S/C22H25NO3S/c1-21(2)13-22(3,4)27-18-11-10-16(12-17(18)21)23-19(24)14-6-8-15(9-7-14)20(25)26-5/h6-12H,13H2,1-5H3,(H,23,24)
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR beta


J Med Chem 42: 4434-45 (1999)


Article DOI: 10.1021/jm990292i
BindingDB Entry DOI: 10.7270/Q2891530
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50082042
PNG
(CHEMBL139536 | N-(2,2,4,4-Tetramethyl-thiochroman-...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1ccc2SC(C)(C)CC(C)(C)c2c1
Show InChI InChI=1S/C22H25NO3S/c1-21(2)13-22(3,4)27-18-11-10-16(12-17(18)21)23-19(24)14-6-8-15(9-7-14)20(25)26-5/h6-12H,13H2,1-5H3,(H,23,24)
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n/an/an/an/a 152n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR gamma


J Med Chem 42: 4434-45 (1999)


Article DOI: 10.1021/jm990292i
BindingDB Entry DOI: 10.7270/Q2891530
More data for this
Ligand-Target Pair
Retinoid X receptor alpha


(Mus musculus)
BDBM50082041
PNG
(4-iminomethylphenyl 4,4-dimethyl-6-chromanecarboxy...)
Show SMILES CC1(C)CCOc2ccc(cc12)C(=O)Oc1ccc(C=NNC(N)=S)cc1
Show InChI InChI=1S/C20H21N3O3S/c1-20(2)9-10-25-17-8-5-14(11-16(17)20)18(24)26-15-6-3-13(4-7-15)12-22-23-19(21)27/h3-8,11-12H,9-10H2,1-2H3,(H3,21,23,27)
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n/an/an/an/a 294n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


Assay Description
Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor RXR alpha


J Med Chem 42: 4434-45 (1999)


Article DOI: 10.1021/jm990292i
BindingDB Entry DOI: 10.7270/Q2891530
More data for this
Ligand-Target Pair
Retinoid X receptor alpha


(Mus musculus)
BDBM50082042
PNG
(CHEMBL139536 | N-(2,2,4,4-Tetramethyl-thiochroman-...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1ccc2SC(C)(C)CC(C)(C)c2c1
Show InChI InChI=1S/C22H25NO3S/c1-21(2)13-22(3,4)27-18-11-10-16(12-17(18)21)23-19(24)14-6-8-15(9-7-14)20(25)26-5/h6-12H,13H2,1-5H3,(H,23,24)
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n/an/an/an/a 84n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


Assay Description
Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor RXR alpha


J Med Chem 42: 4434-45 (1999)


Article DOI: 10.1021/jm990292i
BindingDB Entry DOI: 10.7270/Q2891530
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50082041
PNG
(4-iminomethylphenyl 4,4-dimethyl-6-chromanecarboxy...)
Show SMILES CC1(C)CCOc2ccc(cc12)C(=O)Oc1ccc(C=NNC(N)=S)cc1
Show InChI InChI=1S/C20H21N3O3S/c1-20(2)9-10-25-17-8-5-14(11-16(17)20)18(24)26-15-6-3-13(4-7-15)12-22-23-19(21)27/h3-8,11-12H,9-10H2,1-2H3,(H3,21,23,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR gamma


J Med Chem 42: 4434-45 (1999)


Article DOI: 10.1021/jm990292i
BindingDB Entry DOI: 10.7270/Q2891530
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50082042
PNG
(CHEMBL139536 | N-(2,2,4,4-Tetramethyl-thiochroman-...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)Nc1ccc2SC(C)(C)CC(C)(C)c2c1
Show InChI InChI=1S/C22H25NO3S/c1-21(2)13-22(3,4)27-18-11-10-16(12-17(18)21)23-19(24)14-6-8-15(9-7-14)20(25)26-5/h6-12H,13H2,1-5H3,(H,23,24)
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n/an/an/an/a 225n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR alpha


J Med Chem 42: 4434-45 (1999)


Article DOI: 10.1021/jm990292i
BindingDB Entry DOI: 10.7270/Q2891530
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50082041
PNG
(4-iminomethylphenyl 4,4-dimethyl-6-chromanecarboxy...)
Show SMILES CC1(C)CCOc2ccc(cc12)C(=O)Oc1ccc(C=NNC(N)=S)cc1
Show InChI InChI=1S/C20H21N3O3S/c1-20(2)9-10-25-17-8-5-14(11-16(17)20)18(24)26-15-6-3-13(4-7-15)12-22-23-19(21)27/h3-8,11-12H,9-10H2,1-2H3,(H3,21,23,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR alpha


J Med Chem 42: 4434-45 (1999)


Article DOI: 10.1021/jm990292i
BindingDB Entry DOI: 10.7270/Q2891530
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%