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BDBM50123207 2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol::CHEMBL144431

SMILES: Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1

InChI Key: InChIKey=GWRXSPPQGAVBCP-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50123207   
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50123207
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)
Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1 |t:5|
Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)21-11-16-8-9-20(25)12-22(16)23(21)13-17-4-1-2-5-18(17)14-23/h1-12,24-25H,13-14H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Rattus norvegicus)
BDBM50123207
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)
Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1 |t:5|
Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)21-11-16-8-9-20(25)12-22(16)23(21)13-17-4-1-2-5-18(17)14-23/h1-12,24-25H,13-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity foor Rat Estrogen receptor-beta


Bioorg Med Chem Lett 13: 479-83 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50123207
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)
Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1 |t:5|
Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)21-11-16-8-9-20(25)12-22(16)23(21)13-17-4-1-2-5-18(17)14-23/h1-12,24-25H,13-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Rat Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50123207
PNG
(2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol |...)
Show SMILES Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1 |t:5|
Show InChI InChI=1S/C23H18O2/c24-19-7-3-6-15(10-19)21-11-16-8-9-20(25)12-22(16)23(21)13-17-4-1-2-5-18(17)14-23/h1-12,24-25H,13-14H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Human Estrogen receptor-alpha


Bioorg Med Chem Lett 13: 479-83 (2003)


BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair