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BDBM50404796 Brevibloc::ESMOLOL

SMILES: COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1

InChI Key: InChIKey=AQNDDEOPVVGCPG-UHFFFAOYSA-N

Data: 5 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50404796   
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)
BDBM50404796
PNG
(Brevibloc | ESMOLOL)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
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KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 0.00100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 40 min


J Med Chem 25: 1408-12 (1983)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404796
PNG
(Brevibloc | ESMOLOL)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
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DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 0.00100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 3h


J Med Chem 25: 1408-12 (1983)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50404796
PNG
(Brevibloc | ESMOLOL)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 6.31E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation


J Med Chem 25: 1408-12 (1983)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404796
PNG
(Brevibloc | ESMOLOL)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 100n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404796
PNG
(Brevibloc | ESMOLOL)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation


J Med Chem 25: 1408-12 (1983)

More data for this
Ligand-Target Pair