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BDBM50083048 5-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-isoxazole-3-carboxylic acid::CHEMBL357015

SMILES: C\C(=C/c1cc(no1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C

InChI Key: InChIKey=QEPKCGNDCFSACX-JLHYYAGUSA-N

Data: 5 Kd  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50083048   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50083048
PNG
(5-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C/c1cc(no1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO3/c1-13(10-15-12-18(19(23)24)22-25-15)14-6-7-16-17(11-14)21(4,5)9-8-20(16,2)3/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)/b13-10+
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n/an/an/a 2.00E+3n/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
In vitro binding affinity for Retinoic acid receptor RAR gamma

J Med Chem 42: 4961-9 (2000)


BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))		BDBM50083048
PNG
(5-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C/c1cc(no1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO3/c1-13(10-15-12-18(19(23)24)22-25-15)14-6-7-16-17(11-14)21(4,5)9-8-20(16,2)3/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)/b13-10+
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n/an/an/a 1.00E+3n/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
In vitro binding affinity for Retinoic acid receptor RAR alpha

J Med Chem 42: 4961-9 (2000)


BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))		BDBM50083048
PNG
(5-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C/c1cc(no1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO3/c1-13(10-15-12-18(19(23)24)22-25-15)14-6-7-16-17(11-14)21(4,5)9-8-20(16,2)3/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)/b13-10+
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n/an/an/an/a>1.00E+3n/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR gamma

J Med Chem 42: 4961-9 (2000)


BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))		BDBM50083048
PNG
(5-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C/c1cc(no1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO3/c1-13(10-15-12-18(19(23)24)22-25-15)14-6-7-16-17(11-14)21(4,5)9-8-20(16,2)3/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)/b13-10+
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n/an/an/a 1.40E+3n/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
In vitro binding affinity for Retinoid X receptor RXR gamma

J Med Chem 42: 4961-9 (2000)


BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM50083048
PNG
(5-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C/c1cc(no1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO3/c1-13(10-15-12-18(19(23)24)22-25-15)14-6-7-16-17(11-14)21(4,5)9-8-20(16,2)3/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)/b13-10+
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n/an/an/a>3.00E+4n/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
In vitro binding affinity for Retinoic acid receptor RAR beta

J Med Chem 42: 4961-9 (2000)


BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))		BDBM50083048
PNG
(5-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C/c1cc(no1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO3/c1-13(10-15-12-18(19(23)24)22-25-15)14-6-7-16-17(11-14)21(4,5)9-8-20(16,2)3/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)/b13-10+
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n/an/an/an/a>1.00E+3n/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR gamma

J Med Chem 42: 4961-9 (2000)


BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50083048
PNG
(5-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C/c1cc(no1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO3/c1-13(10-15-12-18(19(23)24)22-25-15)14-6-7-16-17(11-14)21(4,5)9-8-20(16,2)3/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)/b13-10+
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n/an/an/an/a>1.00E+3n/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha

J Med Chem 42: 4961-9 (2000)


BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))		BDBM50083048
PNG
(5-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C/c1cc(no1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO3/c1-13(10-15-12-18(19(23)24)22-25-15)14-6-7-16-17(11-14)21(4,5)9-8-20(16,2)3/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)/b13-10+
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n/an/an/an/a>1.00E+3n/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoic acid receptor RAR beta

J Med Chem 42: 4961-9 (2000)


BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))		BDBM50083048
PNG
(5-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C/c1cc(no1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C21H25NO3/c1-13(10-15-12-18(19(23)24)22-25-15)14-6-7-16-17(11-14)21(4,5)9-8-20(16,2)3/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)/b13-10+
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n/an/an/a 2.10E+3n/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
In vitro binding affinity for Retinoid X receptor RXR alpha

J Med Chem 42: 4961-9 (2000)


BindingDB Entry DOI: 10.7270/Q24F1PX3
More data for this
Ligand-Target Pair