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PubChem AID 623882

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM84321
PNG
(4-Chloro-N-methyl-N-[2-oxo-2-(4-pyridin-2-yl-piper...)
Show SMILES CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClN4O3S/c1-21(27(25,26)16-7-5-15(19)6-8-16)14-18(24)23-12-10-22(11-13-23)17-4-2-3-9-20-17/h2-9H,10-14H2,1H3
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PC sid
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n/an/an/an/a 357n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2R49PB0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM84203
PNG
(4-[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]amino]ben...)
Show SMILES CCOC(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H17N5O3/c1-2-26-18(25)14-8-10-15(11-9-14)19-16(24)12-23-21-17(20-22-23)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,19,24)
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n/an/an/an/a 1.31E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2R49PB0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM84215
PNG
(4-[[1-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenoxy]eth...)
Show SMILES CCOC(=O)c1ccc(NC(=O)COc2ccc(cc2)S(=O)(=O)N2CCCC2)cc1
Show InChI InChI=1S/C21H24N2O6S/c1-2-28-21(25)16-5-7-17(8-6-16)22-20(24)15-29-18-9-11-19(12-10-18)30(26,27)23-13-3-4-14-23/h5-12H,2-4,13-15H2,1H3,(H,22,24)
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n/an/an/an/a 1.37E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2R49PB0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%