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BDBM50265951 CHEMBL1657::TAZAROTENE::ethyl 6-[(4,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]nicotinate

SMILES: CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1

InChI Key: InChIKey=OGQICQVSFDPSEI-UHFFFAOYSA-N

Data: 3 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50265951   
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
Retinoid receptor


(Homo sapiens)
BDBM50265951
PNG
(CHEMBL1657 | TAZAROTENE | ethyl 6-[(4,4-dimethyl-3...)
Show SMILES CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1
Show InChI InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
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KEGG
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PC sid
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Article
PubMed
n/an/an/an/a 40n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Activity at human RARgamma ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50265951
PNG
(CHEMBL1657 | TAZAROTENE | ethyl 6-[(4,4-dimethyl-3...)
Show SMILES CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1
Show InChI InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 0.800n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Activity at human RARbeta ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 h...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50265951
PNG
(CHEMBL1657 | TAZAROTENE | ethyl 6-[(4,4-dimethyl-3...)
Show SMILES CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1
Show InChI InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
PDB
MMDB

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CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 63n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Activity at human RARalpha ligand binding domain expressed in COS7 cells cotransfected with Gal4-DBD assessed as transcriptional activation after 16 ...


Bioorg Med Chem Lett 19: 489-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.040
BindingDB Entry DOI: 10.7270/Q2GF0TC9
More data for this
Ligand-Target Pair