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BDBM25766 (2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol::CHEMBL649::Corgard::Nadolol::Solgol::cid_39147

SMILES: CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12

InChI Key: InChIKey=VWPOSFSPZNDTMJ-UCWKZMIHSA-N

Data: 1 KI  1 IC50  3 Kd

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 = 25766   
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
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM25766
PNG
((2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12
Show InChI InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
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MMDB

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Article
PubMed
2.31E+6n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by co...


J Med Chem 51: 3755-64 (2008)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25766
PNG
((2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12
Show InChI InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
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PubMed
n/an/an/a 2.5n/an/an/an/an/a



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM25766
PNG
((2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12
Show InChI InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the Uni...


PubChem Bioassay (2006)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM25766
PNG
((2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12
Show InChI InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
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Article
PubMed
n/an/an/a 59n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM25766
PNG
((2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12
Show InChI InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 661n/an/an/an/an/a



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)

More data for this
Ligand-Target Pair