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BDBM50287798 4-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-thiazol-5-yl)-butyric acid::CHEMBL72168

SMILES: C[C@H](Cc1ncc(CCCC(O)=O)s1)NCC(O)c1cccc(Cl)c1

InChI Key: InChIKey=LULIDPWYMOAXGN-ZGTOLYCTSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50287798   
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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50287798
PNG
(4-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylam...)
Show SMILES C[C@H](Cc1ncc(CCCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H23ClN2O3S/c1-12(20-11-16(22)13-4-2-5-14(19)9-13)8-17-21-10-15(25-17)6-3-7-18(23)24/h2,4-5,9-10,12,16,20,22H,3,6-8,11H2,1H3,(H,23,24)/t12-,16?/m1/s1
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Similars

Article
6.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against Beta-1 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligan...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50287798
PNG
(4-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylam...)
Show SMILES C[C@H](Cc1ncc(CCCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H23ClN2O3S/c1-12(20-11-16(22)13-4-2-5-14(19)9-13)8-17-21-10-15(25-17)6-3-7-18(23)24/h2,4-5,9-10,12,16,20,22H,3,6-8,11H2,1H3,(H,23,24)/t12-,16?/m1/s1
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Article
1.39E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta2 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50287798
PNG
(4-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylam...)
Show SMILES C[C@H](Cc1ncc(CCCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H23ClN2O3S/c1-12(20-11-16(22)13-4-2-5-14(19)9-13)8-17-21-10-15(25-17)6-3-7-18(23)24/h2,4-5,9-10,12,16,20,22H,3,6-8,11H2,1H3,(H,23,24)/t12-,16?/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
3.65E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta3 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair