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6 similar compounds to monomer 50326553

Compile data set for download or QSAR
Wt: 463.5
BDBM50106821
Wt: 517.6
BDBM50326548
Wt: 525.6
BDBM50326554
Wt: 525.6
BDBM50326555
Wt: 511.6
BDBM50326556
Wt: 787.0
BDBM50343153

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50106821,50326548,50326554,50326555,50326556,50343153   
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50343153
PNG
(CHEMBL1773197 | N-(3-(3-((R)-3-(diisopropylamino)-...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)ccc1O)C(C)C
Show InChI InChI=1S/C45H62N4O6S/c1-31(2)49(32(3)4)24-22-38(36-16-9-8-10-17-36)39-26-33(18-20-41(39)50)15-12-23-46-44(53)27-34-13-11-14-35(25-34)29-45(5,6)47-30-43(52)37-19-21-42(51)40(28-37)48-56(7,54)55/h8-11,13-14,16-21,25-26,28,31-32,38,43,47-48,50-52H,12,15,22-24,27,29-30H2,1-7H3,(H,46,53)/t38-,43+/m1/s1
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0.276n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2759-63 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.132
BindingDB Entry DOI: 10.7270/Q2G73F1B
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106821
PNG
(6-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-p...)
Show SMILES CNC(=O)CCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C23H33N3O5S/c1-24-23(29)11-7-6-10-19(14-17-8-4-3-5-9-17)25-16-22(28)18-12-13-21(27)20(15-18)26-32(2,30)31/h3-5,8-9,12-13,15,19,22,25-28H,6-7,10-11,14,16H2,1-2H3,(H,24,29)
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1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol


Bioorg Med Chem Lett 11: 3035-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00628-x
BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326555
PNG
((R)-N-benzyl-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(me...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C28H35N3O5S/c1-28(2,30-19-26(33)23-12-13-25(32)24(16-23)31-37(3,35)36)17-22-11-7-10-21(14-22)15-27(34)29-18-20-8-5-4-6-9-20/h4-14,16,26,30-33H,15,17-19H2,1-3H3,(H,29,34)/t26-/m0/s1
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n/an/an/an/a 0.0200n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326548
PNG
(CHEMBL1243348 | N-(cyclohexylmethyl)-2-(3-((R)-2-(...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCC2CCCCC2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H39N3O5S/c1-19(28-18-26(32)23-11-12-25(31)24(16-23)30-36(2,34)35)13-21-9-6-10-22(14-21)15-27(33)29-17-20-7-4-3-5-8-20/h6,9-12,14,16,19-20,26,28,30-32H,3-5,7-8,13,15,17-18H2,1-2H3,(H,29,33)/t19-,26+/m1/s1
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n/an/an/an/a 0.0300n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50343153
PNG
(CHEMBL1773197 | N-(3-(3-((R)-3-(diisopropylamino)-...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)ccc1O)C(C)C
Show InChI InChI=1S/C45H62N4O6S/c1-31(2)49(32(3)4)24-22-38(36-16-9-8-10-17-36)39-26-33(18-20-41(39)50)15-12-23-46-44(53)27-34-13-11-14-35(25-34)29-45(5,6)47-30-43(52)37-19-21-42(51)40(28-37)48-56(7,54)55/h8-11,13-14,16-21,25-26,28,31-32,38,43,47-48,50-52H,12,15,22-24,27,29-30H2,1-7H3,(H,46,53)/t38-,43+/m1/s1
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n/an/an/an/a 5.30n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M3 receptor in guinea pig trachea assessed as bronchorelaxation activity in presence of propranolol


Bioorg Med Chem Lett 21: 2759-63 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.132
BindingDB Entry DOI: 10.7270/Q2G73F1B
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50343153
PNG
(CHEMBL1773197 | N-(3-(3-((R)-3-(diisopropylamino)-...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)ccc1O)C(C)C
Show InChI InChI=1S/C45H62N4O6S/c1-31(2)49(32(3)4)24-22-38(36-16-9-8-10-17-36)39-26-33(18-20-41(39)50)15-12-23-46-44(53)27-34-13-11-14-35(25-34)29-45(5,6)47-30-43(52)37-19-21-42(51)40(28-37)48-56(7,54)55/h8-11,13-14,16-21,25-26,28,31-32,38,43,47-48,50-52H,12,15,22-24,27,29-30H2,1-7H3,(H,46,53)/t38-,43+/m1/s1
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n/an/an/an/a 2.10n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as bronchorelaxation activity against histamine-induced contraction


Bioorg Med Chem Lett 21: 2759-63 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.132
BindingDB Entry DOI: 10.7270/Q2G73F1B
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326554
PNG
(2-(3-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(methyls...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C28H35N3O5S/c1-20(30-19-27(33)24-11-12-26(32)25(18-24)31-37(2,35)36)15-22-9-6-10-23(16-22)17-28(34)29-14-13-21-7-4-3-5-8-21/h3-12,16,18,20,27,30-33H,13-15,17,19H2,1-2H3,(H,29,34)/t20-,27+/m1/s1
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n/an/an/an/a 0.0400n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326556
PNG
(CHEMBL1243158 | N-benzyl-2-(3-((R)-2-((R)-2-hydrox...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33N3O5S/c1-19(28-18-26(32)23-11-12-25(31)24(16-23)30-36(2,34)35)13-21-9-6-10-22(14-21)15-27(33)29-17-20-7-4-3-5-8-20/h3-12,14,16,19,26,28,30-32H,13,15,17-18H2,1-2H3,(H,29,33)/t19-,26+/m1/s1
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n/an/an/an/a 0.0300n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate m...


J Med Chem 53: 6640-52 (2010)


Article DOI: 10.1021/jm1005989
BindingDB Entry DOI: 10.7270/Q2X0678R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50343153
PNG
(CHEMBL1773197 | N-(3-(3-((R)-3-(diisopropylamino)-...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)ccc1O)C(C)C
Show InChI InChI=1S/C45H62N4O6S/c1-31(2)49(32(3)4)24-22-38(36-16-9-8-10-17-36)39-26-33(18-20-41(39)50)15-12-23-46-44(53)27-34-13-11-14-35(25-34)29-45(5,6)47-30-43(52)37-19-21-42(51)40(28-37)48-56(7,54)55/h8-11,13-14,16-21,25-26,28,31-32,38,43,47-48,50-52H,12,15,22-24,27,29-30H2,1-7H3,(H,46,53)/t38-,43+/m1/s1
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n/an/an/an/a 8.10n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as stimulation of intracellular cAMP production after 30 mins of ...


Bioorg Med Chem Lett 21: 2759-63 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.132
BindingDB Entry DOI: 10.7270/Q2G73F1B
More data for this
Ligand-Target Pair