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SMILES: Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=HFYASNDAIXLFTJ-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50075876   
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 beta


(Homo sapiens (Human))
BDBM50075876
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benz...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:7|
Show InChI InChI=1S/C27H22O3S/c1-16-4-11-25(31-16)23-15-27(2,3)30-24-14-20-10-9-19(12-21(20)13-22(23)24)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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n/an/a 6.5n/an/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR beta in transcriptional activation assay with 10 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50075876
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benz...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:7|
Show InChI InChI=1S/C27H22O3S/c1-16-4-11-25(31-16)23-15-27(2,3)30-24-14-20-10-9-19(12-21(20)13-22(23)24)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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n/an/an/a 33n/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor gamma


Bioorg Med Chem Lett 9: 743-8 (1999)


BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50075876
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benz...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:7|
Show InChI InChI=1S/C27H22O3S/c1-16-4-11-25(31-16)23-15-27(2,3)30-24-14-20-10-9-19(12-21(20)13-22(23)24)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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n/an/an/a 12n/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR alpha in transcriptional activation assay with 32 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50075876
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benz...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:7|
Show InChI InChI=1S/C27H22O3S/c1-16-4-11-25(31-16)23-15-27(2,3)30-24-14-20-10-9-19(12-21(20)13-22(23)24)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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n/an/a 4n/an/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR gamma in transcriptional activation assay with 3.2 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50075876
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benz...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:7|
Show InChI InChI=1S/C27H22O3S/c1-16-4-11-25(31-16)23-15-27(2,3)30-24-14-20-10-9-19(12-21(20)13-22(23)24)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
PDB
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PC sid
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n/an/an/a 17n/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human RAR alpha


Bioorg Med Chem Lett 9: 743-8 (1999)


BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50075876
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benz...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:7|
Show InChI InChI=1S/C27H22O3S/c1-16-4-11-25(31-16)23-15-27(2,3)30-24-14-20-10-9-19(12-21(20)13-22(23)24)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR alpha in transcriptional activation assay with 32 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair