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BDBM50404988 CHEMBL11171

SMILES: CC(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1

InChI Key: InChIKey=PYNHMXVUQLOMJY-UHFFFAOYSA-N

Data: 5 Kd

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 = 50404988   
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


(GUINEA PIG)
BDBM50404988
PNG
(CHEMBL11171)
Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C19H23N3O2S/c1-13(2)20-10-15(23)12-24-16-7-5-14(6-8-16)19-21-11-17(22-19)18-4-3-9-25-18/h3-9,11,13,15,20,23H,10,12H2,1-2H3,(H,21,22)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404988
PNG
(CHEMBL11171)
Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C19H23N3O2S/c1-13(2)20-10-15(23)12-24-16-7-5-14(6-8-16)19-21-11-17(22-19)18-4-3-9-25-18/h3-9,11,13,15,20,23H,10,12H2,1-2H3,(H,21,22)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50404988
PNG
(CHEMBL11171)
Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C19H23N3O2S/c1-13(2)20-10-15(23)12-24-16-7-5-14(6-8-16)19-21-11-17(22-19)18-4-3-9-25-18/h3-9,11,13,15,20,23H,10,12H2,1-2H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 245n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50404988
PNG
(CHEMBL11171)
Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C19H23N3O2S/c1-13(2)20-10-15(23)12-24-16-7-5-14(6-8-16)19-21-11-17(22-19)18-4-3-9-25-18/h3-9,11,13,15,20,23H,10,12H2,1-2H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 132n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404988
PNG
(CHEMBL11171)
Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C19H23N3O2S/c1-13(2)20-10-15(23)12-24-16-7-5-14(6-8-16)19-21-11-17(22-19)18-4-3-9-25-18/h3-9,11,13,15,20,23H,10,12H2,1-2H3,(H,21,22)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.30n/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Activity at beta-1 adrenergic receptor


J Med Chem 35: 4676-82 (1993)


Article DOI: 10.1021/jm00103a004
BindingDB Entry DOI: 10.7270/Q2KS6SRG
More data for this
Ligand-Target Pair