BDBM25752 Betaxolol::Levobetaxolol::[(2S)-3-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-2-hydroxypropyl](propan-2-yl)amine

SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1

InChI Key InChIKey=NWIUTZDMDHAVTP-KRWDZBQOSA-N

Data  3 KI  4 Kd

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 25752   

TargetBeta-1 adrenergic receptor(Rattus norvegicus (Rat))
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25752(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
Show SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
Affinity DataKi:  12.3nMMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Rattus norvegicus)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25752(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
Show SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
Affinity DataKi:  2.04E+3nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1B(Rattus norvegicus (Rat))
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25752(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
Show SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetBeta-1 adrenergic receptor(Rattus norvegicus (Rat))
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25752(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
Show SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
Affinity DataKd:  5.01nMAssay Description:Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atriaMore data for this Ligand-Target Pair
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
University of Nottingham

LigandPNGBDBM25752(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
Show SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
Affinity DataKd:  42nMAssay Description:The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...More data for this Ligand-Target Pair
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
University of Nottingham

LigandPNGBDBM25752(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
Show SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
Affinity DataKd:  6.20nMpH: 7.4 T: 2°CAssay Description:The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...More data for this Ligand-Target Pair
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
University of Nottingham

LigandPNGBDBM25752(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
Show SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
Affinity DataKd:  1.07E+3nMAssay Description:The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...More data for this Ligand-Target Pair