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BDBM25748 3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}ethyl)-1-phenylurea::ICI 89,406::ICI 89406

SMILES: OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N

InChI Key: InChIKey=HTLWRKRZKFAAAH-UHFFFAOYSA-N

Data: 1 KI  10 Kd  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 14 hits for monomerid = 25748   
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


(Homo sapiens (human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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PubMed
n/an/an/a 1.24n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/a 2.04E+3n/an/an/an/an/a



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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132n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 665-74 (1994)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/a 0.933n/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-1 adrenergic receptor


(Homo sapiens (human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/a 0.331n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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PubMed
n/an/an/a 832n/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 and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/a 56n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/a 1.80n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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PubMed
n/an/an/a 1.91E+3n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/an/a 60n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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PubMed
n/an/an/a 145n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta2 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Agonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/a 85n/an/an/an/an/a



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/an/a 0.813n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair