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9 similar compounds to monomer 25748

Compile data set for download or QSAR
Wt: 384.4
BDBM50378914
Wt: 372.3
BDBM50378915
Wt: 372.3
BDBM50378916
Wt: 416.4
BDBM50378917
Wt: 430.4
BDBM50378918
Wt: 416.4
BDBM50378919
Wt: 429.4
BDBM50378920
Wt: 416.4
BDBM50378924
Wt: 484.5
BDBM50432707

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50378914,50378915,50378916,50378917,50378918,50378919,50378920,50378924,50432707   
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-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50432707
PNG
(LK-204-545 | LK-204545)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
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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 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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378924
PNG
(CHEMBL2011223)
Show SMILES CCOc1ccc(NC(=O)NCCNC[C@H](O)COc2cccc(F)c2C#N)cc1
Show InChI InChI=1S/C21H25FN4O4/c1-2-29-17-8-6-15(7-9-17)26-21(28)25-11-10-24-13-16(27)14-30-20-5-3-4-19(22)18(20)12-23/h3-9,16,24,27H,2,10-11,13-14H2,1H3,(H2,25,26,28)/t16-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50432707
PNG
(LK-204-545 | LK-204545)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
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n/an/an/a 5.13E+3n/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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50432707
PNG
(LK-204-545 | LK-204545)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
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n/an/an/a 1.70n/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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50432707
PNG
(LK-204-545 | LK-204545)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
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n/an/an/a>1.00E+4n/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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50432707
PNG
(LK-204-545 | LK-204545)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
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n/an/an/a 9.10n/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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50432707
PNG
(LK-204-545 | LK-204545)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
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n/an/an/an/a 2.30n/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
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50432707
PNG
(LK-204-545 | LK-204545)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
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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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378914
PNG
(CHEMBL2011213)
Show SMILES COc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H24N4O4/c1-27-18-8-6-16(7-9-18)24-20(26)23-11-10-22-13-17(25)14-28-19-5-3-2-4-15(19)12-21/h2-9,17,22,25H,10-11,13-14H2,1H3,(H2,23,24,26)/t17-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378915
PNG
(CHEMBL2011214)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccccc1F)COc1ccccc1C#N
Show InChI InChI=1S/C19H21FN4O3/c20-16-6-2-3-7-17(16)24-19(26)23-10-9-22-12-15(25)13-27-18-8-4-1-5-14(18)11-21/h1-8,15,22,25H,9-10,12-13H2,(H2,23,24,26)/t15-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378916
PNG
(CHEMBL2011215)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(F)cc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H21FN4O3/c20-15-5-7-16(8-6-15)24-19(26)23-10-9-22-12-17(25)13-27-18-4-2-1-3-14(18)11-21/h1-8,17,22,25H,9-10,12-13H2,(H2,23,24,26)/t17-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378917
PNG
(CHEMBL2011216)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCF)cc1)COc1ccccc1C#N
Show InChI InChI=1S/C21H25FN4O4/c22-9-12-29-19-7-5-17(6-8-19)26-21(28)25-11-10-24-14-18(27)15-30-20-4-2-1-3-16(20)13-23/h1-8,18,24,27H,9-12,14-15H2,(H2,25,26,28)/t18-/m0/s1
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n/an/a 0.0800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378918
PNG
(CHEMBL2011217)
Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCCF)cc1)COc1ccccc1C#N
Show InChI InChI=1S/C22H27FN4O4/c23-10-3-13-30-20-8-6-18(7-9-20)27-22(29)26-12-11-25-15-19(28)16-31-21-5-2-1-4-17(21)14-24/h1-2,4-9,19,25,28H,3,10-13,15-16H2,(H2,26,27,29)/t19-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378919
PNG
(CHEMBL2011218)
Show SMILES O[C@@H](CNCCNC(=O)Nc1cccc(OCCF)c1)COc1ccccc1C#N
Show InChI InChI=1S/C21H25FN4O4/c22-8-11-29-19-6-3-5-17(12-19)26-21(28)25-10-9-24-14-18(27)15-30-20-7-2-1-4-16(20)13-23/h1-7,12,18,24,27H,8-11,14-15H2,(H2,25,26,28)/t18-/m0/s1
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n/an/a 0.0400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50378920
PNG
(CHEMBL2011219)
Show SMILES CC(CF)Nc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1
Show InChI InChI=1S/C22H28FN5O3/c1-16(12-23)27-18-6-8-19(9-7-18)28-22(30)26-11-10-25-14-20(29)15-31-21-5-3-2-4-17(21)13-24/h2-9,16,20,25,27,29H,10-12,14-15H2,1H3,(H2,26,28,30)/t16?,20-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay


ACS Med Chem Lett 2: 650-655 (2011)


Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50432707
PNG
(LK-204-545 | LK-204545)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
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n/an/an/a 2.88E+3n/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