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BDBM50066906 4-[(E)-2-(4,4-Dimethyl-thiochroman-6-yl)-propenyl]-benzoic acid methyl ester::CHEMBL125587

SMILES: COC(=O)c1ccc(\C=C(/C)c2ccc3SCCC(C)(C)c3c2)cc1

InChI Key: InChIKey=HAPXDMSFBDESOL-FYWRMAATSA-N

Data: 3 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 3 hits for monomerid = 50066906   
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 X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50066906
PNG
(4-[(E)-2-(4,4-Dimethyl-thiochroman-6-yl)-propenyl]...)
Show SMILES COC(=O)c1ccc(\C=C(/C)c2ccc3SCCC(C)(C)c3c2)cc1
Show InChI InChI=1S/C22H24O2S/c1-15(13-16-5-7-17(8-6-16)21(23)24-4)18-9-10-20-19(14-18)22(2,3)11-12-25-20/h5-10,13-14H,11-12H2,1-4H3/b15-13+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 620n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


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


J Med Chem 41: 3753-7 (1998)


Article DOI: 10.1021/jm980308p
BindingDB Entry DOI: 10.7270/Q2TB1628
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50066906
PNG
(4-[(E)-2-(4,4-Dimethyl-thiochroman-6-yl)-propenyl]...)
Show SMILES COC(=O)c1ccc(\C=C(/C)c2ccc3SCCC(C)(C)c3c2)cc1
Show InChI InChI=1S/C22H24O2S/c1-15(13-16-5-7-17(8-6-16)21(23)24-4)18-9-10-20-19(14-18)22(2,3)11-12-25-20/h5-10,13-14H,11-12H2,1-4H3/b15-13+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Oklahoma Health Sciences Center

Curated by ChEMBL


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


J Med Chem 41: 3753-7 (1998)


Article DOI: 10.1021/jm980308p
BindingDB Entry DOI: 10.7270/Q2TB1628
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50066906
PNG
(4-[(E)-2-(4,4-Dimethyl-thiochroman-6-yl)-propenyl]...)
Show SMILES COC(=O)c1ccc(\C=C(/C)c2ccc3SCCC(C)(C)c3c2)cc1
Show InChI InChI=1S/C22H24O2S/c1-15(13-16-5-7-17(8-6-16)21(23)24-4)18-9-10-20-19(14-18)22(2,3)11-12-25-20/h5-10,13-14H,11-12H2,1-4H3/b15-13+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 110n/an/an/an/a



University of Oklahoma Health Sciences Center

Curated by ChEMBL


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


J Med Chem 41: 3753-7 (1998)


Article DOI: 10.1021/jm980308p
BindingDB Entry DOI: 10.7270/Q2TB1628
More data for this
Ligand-Target Pair