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BDBM50270875 5,6,7,8-tetrahydro-1-naphthol::CHEMBL449132

SMILES: Oc1cccc2CCCCc12

InChI Key: InChIKey=SCWNNOCLLOHZIG-UHFFFAOYSA-N

Data: 1 IC50  4 Kd

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50270875   
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50270875
PNG
(5,6,7,8-tetrahydro-1-naphthol | CHEMBL449132)
Show SMILES Oc1cccc2CCCCc12
Show InChI InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
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PubMed
n/an/an/a 4.30E+6n/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Bcl-xL (unknown origin) measured after 1 hr incubation by fluorescence polarization assay


Bioorg Med Chem 23: 1747-57 (2015)


Article DOI: 10.1016/j.bmc.2015.02.060
BindingDB Entry DOI: 10.7270/Q2F191D6
More data for this
Ligand-Target Pair
Bcl2-antagonist of cell death (BAD)


(Homo sapiens (Human))
BDBM50270875
PNG
(5,6,7,8-tetrahydro-1-naphthol | CHEMBL449132)
Show SMILES Oc1cccc2CCCCc12
Show InChI InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
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n/an/an/a 2.00E+6n/an/an/an/an/a



Astex Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to BH3 binding groove of BclXL


J Med Chem 51: 3661-80 (2008)


Article DOI: 10.1021/jm8000373
BindingDB Entry DOI: 10.7270/Q2N58M4H
More data for this
Ligand-Target Pair
Bcl-xL/Bcl-2-binding component 3


(Homo sapiens (Human))
BDBM50270875
PNG
(5,6,7,8-tetrahydro-1-naphthol | CHEMBL449132)
Show SMILES Oc1cccc2CCCCc12
Show InChI InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
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n/an/an/a 4.30E+6n/an/an/an/an/a



Taros Chemicals GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to BCL-XL (unknown origin) by 15N HSQC NMR analysis


Eur J Med Chem 167: 76-95 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.084
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50270875
PNG
(5,6,7,8-tetrahydro-1-naphthol | CHEMBL449132)
Show SMILES Oc1cccc2CCCCc12
Show InChI InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
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PubMed
n/an/a 4.30E+6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to Bcl2 by fluorescent polarization assay


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50270875
PNG
(5,6,7,8-tetrahydro-1-naphthol | CHEMBL449132)
Show SMILES Oc1cccc2CCCCc12
Show InChI InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/a 4.30E+6n/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by 2D- NOESY analysis


J Med Chem 54: 6000-13 (2011)


Article DOI: 10.1021/jm200826s
BindingDB Entry DOI: 10.7270/Q2NC61M2
More data for this
Ligand-Target Pair