BindingDB logo
myBDB logout

BDBM50123208 2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-indene]-5-ol::CHEMBL145576

SMILES: CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12

InChI Key: InChIKey=HXXGIDLDLCJJDB-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 = 50123208   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(RAT)
BDBM50123208
PNG
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)
Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12
Show InChI InChI=1S/C24H20O2/c1-15-21-12-20(26)10-11-22(21)24(13-17-4-2-3-5-18(17)14-24)23(15)16-6-8-19(25)9-7-16/h2-12,25-26H,13-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.20n/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)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50123208
PNG
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)
Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12
Show InChI InChI=1S/C24H20O2/c1-15-21-12-20(26)10-11-22(21)24(13-17-4-2-3-5-18(17)14-24)23(15)16-6-8-19(25)9-7-16/h2-12,25-26H,13-14H2,1H3
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.90n/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)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50123208
PNG
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)
Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12
Show InChI InChI=1S/C24H20O2/c1-15-21-12-20(26)10-11-22(21)24(13-17-4-2-3-5-18(17)14-24)23(15)16-6-8-19(25)9-7-16/h2-12,25-26H,13-14H2,1H3
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 19n/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)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair
Estrogen receptor


(Rattus norvegicus)
BDBM50123208
PNG
(2-(4-hydroxyphenyl)-3-methyl-1,2'-spirobi[1H-inden...)
Show SMILES CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12
Show InChI InChI=1S/C24H20O2/c1-15-21-12-20(26)10-11-22(21)24(13-17-4-2-3-5-18(17)14-24)23(15)16-6-8-19(25)9-7-16/h2-12,25-26H,13-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20n/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)


Article DOI: 10.1016/s0960-894x(02)00985-x
BindingDB Entry DOI: 10.7270/Q2F76BXK
More data for this
Ligand-Target Pair