BindingDB logo
myBDB logout

PubMed code 19131251

Compile data set for download or QSAR
Found 9 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-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50255223
PNG
(4-(3N-(2-Amino-2-methyl-1,3-dihydroxypropyl)-2-hyd...)
Show SMILES CC(CO)(CO)NCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C20H23NO6/c1-20(11-22,12-23)21-9-13(24)10-26-17-8-4-6-15-18(25)14-5-2-3-7-16(14)27-19(15)17/h2-8,13,21-24H,9-12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50255803
PNG
(5-(3N-(2-Amino-2-methyl-1-hydroxypropyl)-2-hydroxy...)
Show SMILES CC(C)(CO)NCC(O)COc1cccc2c1oc1cc(Cl)ccc1c2=O
Show InChI InChI=1S/C20H22ClNO5/c1-20(2,11-23)22-9-13(24)10-26-16-5-3-4-15-18(25)14-7-6-12(21)8-17(14)27-19(15)16/h3-8,13,22-24H,9-11H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50255804
PNG
(5-(3N-(2-Amino-2-methyl-1,3-dihydroxypropyl)-2-hyd...)
Show SMILES CC(CO)(CO)NCC(O)COc1cccc2c1oc1cc(Cl)ccc1c2=O
Show InChI InChI=1S/C20H22ClNO6/c1-20(10-23,11-24)22-8-13(25)9-27-16-4-2-3-15-18(26)14-6-5-12(21)7-17(14)28-19(15)16/h2-7,13,22-25H,8-11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
47n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50255222
PNG
(4-(3-(Allylamino)-2-hydroxypropoxy)-9H-xanthen-9-o...)
Show SMILES OC(CNCC=C)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C19H19NO4/c1-2-10-20-11-13(21)12-23-17-9-5-7-15-18(22)14-6-3-4-8-16(14)24-19(15)17/h2-9,13,20-21H,1,10-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
84n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50255802
PNG
(4-(3N-(2-Amino-2-methyl-1-hydroxypropyl)propoxy)-9...)
Show SMILES CC(C)(CO)NCCCOc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C20H23NO4/c1-20(2,13-22)21-11-6-12-24-17-10-5-8-15-18(23)14-7-3-4-9-16(14)25-19(15)17/h3-5,7-10,21-22H,6,11-13H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50255801
PNG
(4-(3-(Allylamino)propoxy)-9H-xanthen-9-one hydroch...)
Show SMILES C=CCNCCCOc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C19H19NO3/c1-2-11-20-12-6-13-22-17-10-5-8-15-18(21)14-7-3-4-9-16(14)23-19(15)17/h2-5,7-10,20H,1,6,11-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
9.70E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50255225
PNG
(2-(3-(Allylamino)-2-hydroxypropoxy)-9H-xanthen-9-o...)
Show SMILES OC(CNCC=C)COc1ccc2oc3ccccc3c(=O)c2c1
Show InChI InChI=1S/C19H19NO4/c1-2-9-20-11-13(21)12-23-14-7-8-18-16(10-14)19(22)15-5-3-4-6-17(15)24-18/h2-8,10,13,20-21H,1,9,11-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.09E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50255224
PNG
(3-(3-(Allylamino)-2-hydroxypropoxy)-9H-xanthen-9-o...)
Show SMILES OC(CNCC=C)COc1ccc2c(c1)oc1ccccc1c2=O
Show InChI InChI=1S/C19H19NO4/c1-2-9-20-11-13(21)12-23-14-7-8-16-18(10-14)24-17-6-4-3-5-15(17)19(16)22/h2-8,10,13,20-21H,1,9,11-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.44E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting


Bioorg Med Chem 17: 1345-52 (2009)


Article DOI: 10.1016/j.bmc.2008.12.031
BindingDB Entry DOI: 10.7270/Q2KP8213
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%