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BDBM50328330 1-(3-fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol::CHEMBL1258258

SMILES: OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(F)c1

InChI Key: InChIKey=NCZAPZAYKFNURN-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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 = 50328330   
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
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328330
PNG
(1-(3-fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyr...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(F)c1
Show InChI InChI=1S/C26H27FN4O2S/c27-19-7-4-8-22(13-19)33-15-21(32)14-28-20-9-11-31(12-10-20)25-24-23(18-5-2-1-3-6-18)16-34-26(24)30-17-29-25/h1-8,13,16-17,20-21,28,32H,9-12,14-15H2
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17n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328330
PNG
(1-(3-fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyr...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(F)c1
Show InChI InChI=1S/C26H27FN4O2S/c27-19-7-4-8-22(13-19)33-15-21(32)14-28-20-9-11-31(12-10-20)25-24-23(18-5-2-1-3-6-18)16-34-26(24)30-17-29-25/h1-8,13,16-17,20-21,28,32H,9-12,14-15H2
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MMDB

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30n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50328330
PNG
(1-(3-fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyr...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(F)c1
Show InChI InChI=1S/C26H27FN4O2S/c27-19-7-4-8-22(13-19)33-15-21(32)14-28-20-9-11-31(12-10-20)25-24-23(18-5-2-1-3-6-18)16-34-26(24)30-17-29-25/h1-8,13,16-17,20-21,28,32H,9-12,14-15H2
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293n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cyclic AMP formation by HTRF assay


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328330
PNG
(1-(3-fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyr...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(F)c1
Show InChI InChI=1S/C26H27FN4O2S/c27-19-7-4-8-22(13-19)33-15-21(32)14-28-20-9-11-31(12-10-20)25-24-23(18-5-2-1-3-6-18)16-34-26(24)30-17-29-25/h1-8,13,16-17,20-21,28,32H,9-12,14-15H2
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n/an/an/an/a 41n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair