BindingDB logo
myBDB logout

BDBM50002595 SOLABEGRON::Solabegron

SMILES: O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1

InChI Key: InChIKey=LLDXOPKUNJTIRF-QFIPXVFZSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50002595   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002595
PNG
(SOLABEGRON | Solabegron)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human cloned beta-1 adrenergic receptor expressed in Sf9 cells


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50002595
PNG
(SOLABEGRON | Solabegron)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human cloned beta-2 adrenergic receptor expressed in Sf9 cells


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002595
PNG
(SOLABEGRON | Solabegron)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.98E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50002595
PNG
(SOLABEGRON | Solabegron)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.26E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002595
PNG
(SOLABEGRON | Solabegron)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair