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

InChI Key: InChIKey=UXOKQJFJAHWGFK-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 = 50075878   
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 alpha


(Homo sapiens (Human))
BDBM50075878
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-benzo[g]chromen-7-yl)...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C29H24O3/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
PDB
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n/an/an/a 14n/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 beta


(Homo sapiens (Human))
BDBM50075878
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-benzo[g]chromen-7-yl)...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C29H24O3/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/a 7.5n/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))
BDBM50075878
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-benzo[g]chromen-7-yl)...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C29H24O3/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/a 2n/an/an/an/an/an/a



Allergan Pharmaceuticals

Curated by ChEMBL


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


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))
BDBM50075878
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-benzo[g]chromen-7-yl)...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C29H24O3/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/an/a 7n/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))
BDBM50075878
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-benzo[g]chromen-7-yl)...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C29H24O3/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
PDB
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PubMed
n/an/a 5.5n/an/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 gamma


(Homo sapiens (Human))
BDBM50075878
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-benzo[g]chromen-7-yl)...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:8|
Show InChI InChI=1S/C29H24O3/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/a 14n/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