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21 similar compounds to monomer 50326556

Compile data set for download or QSAR
Wt: 426.5
BDBM50106791
Wt: 454.5
BDBM50106802
Wt: 497.6
BDBM50106834
Wt: 483.5
BDBM50106837
Wt: 469.5
BDBM50106850
Wt: 483.5
BDBM50106851
Wt: 576.1
BDBM50326540
Wt: 610.5
BDBM50326542
Wt: 569.7
BDBM50326543
Wt: 576.1
BDBM50326544
Wt: 604.1
BDBM50326536
Wt: 617.7
BDBM50326537
Wt: 617.7
BDBM50326538
Wt: 591.7
BDBM50326539
Wt: 594.5
BDBM50326549
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50106791,50106802,50106834,50106837,50106850,50106851,50326540,50326542,50326543,50326544,50326536,50326537,50326538,50326539,50326549   
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106850
PNG
(4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulf...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C24H27N3O5S/c1-33(31,32)27-21-14-19(11-12-22(21)28)23(29)15-26-20(13-16-5-3-2-4-6-16)17-7-9-18(10-8-17)24(25)30/h2-12,14,20,23,26-29H,13,15H2,1H3,(H2,25,30)/t20-,23+/m1/s1
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70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106851
PNG
(2-(4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanes...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C25H29N3O5S/c1-34(32,33)28-22-15-20(11-12-23(22)29)24(30)16-27-21(13-17-5-3-2-4-6-17)19-9-7-18(8-10-19)14-25(26)31/h2-12,15,21,24,27-30H,13-14,16H2,1H3,(H2,26,31)/t21-,24+/m1/s1
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74n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106837
PNG
(4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulf...)
Show SMILES CNC(=O)c1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H29N3O5S/c1-26-25(31)19-10-8-18(9-11-19)21(14-17-6-4-3-5-7-17)27-16-24(30)20-12-13-23(29)22(15-20)28-34(2,32)33/h3-13,15,21,24,27-30H,14,16H2,1-2H3,(H,26,31)/t21-,24+/m1/s1
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120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106802
PNG
(CHEMBL319257 | N-(5-{2-[1-(3,4-Dimethyl-phenyl)-2-...)
Show SMILES Cc1ccc(cc1C)C(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C25H30N2O4S/c1-17-9-10-20(13-18(17)2)22(14-19-7-5-4-6-8-19)26-16-25(29)21-11-12-24(28)23(15-21)27-32(3,30)31/h4-13,15,22,25-29H,14,16H2,1-3H3
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133n/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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106791
PNG
(CHEMBL102257 | N-{5-[2-(1,2-Diphenyl-ethylamino)-1...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N2O4S/c1-30(28,29)25-21-15-19(12-13-22(21)26)23(27)16-24-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,20,23-27H,14,16H2,1H3
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360n/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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106791
PNG
(CHEMBL102257 | N-{5-[2-(1,2-Diphenyl-ethylamino)-1...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N2O4S/c1-30(28,29)25-21-15-19(12-13-22(21)26)23(27)16-24-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,20,23-27H,14,16H2,1H3
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360n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50106834
PNG
(4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulf...)
Show SMILES CN(C)C(=O)c1ccc(cc1)[C@@H](Cc1ccccc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H31N3O5S/c1-29(2)26(32)20-11-9-19(10-12-20)22(15-18-7-5-4-6-8-18)27-17-25(31)21-13-14-24(30)23(16-21)28-35(3,33)34/h4-14,16,22,25,27-28,30-31H,15,17H2,1-3H3/t22-,25+/m1/s1
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800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol


Bioorg Med Chem Lett 11: 3041-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00629-1
BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50326540
PNG
((R)-N-(5-chloro-2-hydroxybenzyl)-2-(3-(2-(2-hydrox...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)ccc2O)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C28H34ClN3O6S/c1-28(2,31-17-26(35)20-7-9-25(34)23(14-20)32-39(3,37)38)15-19-6-4-5-18(11-19)12-27(36)30-16-21-13-22(29)8-10-24(21)33/h4-11,13-14,26,31-35H,12,15-17H2,1-3H3,(H,30,36)/t26-/m0/s1
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n/an/an/an/a 0.170n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50326537
PNG
((R)-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(methylsulfo...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2cccc(c2)-c2ccc(O)cc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C34H39N3O6S/c1-34(2,36-22-32(40)28-12-15-31(39)30(19-28)37-44(3,42)43)20-24-7-4-6-23(16-24)18-33(41)35-21-25-8-5-9-27(17-25)26-10-13-29(38)14-11-26/h4-17,19,32,36-40H,18,20-22H2,1-3H3,(H,35,41)/t32-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp technique


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))
BDBM50326538
PNG
((R)-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(methylsulfo...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2ccc(cc2)-c2ccc(O)cc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C34H39N3O6S/c1-34(2,36-22-32(40)28-13-16-31(39)30(19-28)37-44(3,42)43)20-25-6-4-5-24(17-25)18-33(41)35-21-23-7-9-26(10-8-23)27-11-14-29(38)15-12-27/h4-17,19,32,36-40H,18,20-22H2,1-3H3,(H,35,41)/t32-/m0/s1
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n/an/an/an/a 0.240n/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))
BDBM50326539
PNG
((R)-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(methylsulfo...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2ccc3cc(O)ccc3c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C32H37N3O6S/c1-32(2,34-20-30(38)26-10-12-29(37)28(17-26)35-42(3,40)41)18-22-6-4-5-21(13-22)15-31(39)33-19-23-7-8-25-16-27(36)11-9-24(25)14-23/h4-14,16-17,30,34-38H,15,18-20H2,1-3H3,(H,33,39)/t30-/m0/s1
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n/an/an/an/a 0.210n/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))
BDBM50326549
PNG
((R)-N-(3,4-dichlorobenzyl)-2-(3-(2-(2-hydroxy-2-(4...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C28H33Cl2N3O5S/c1-28(2,32-17-26(35)21-8-10-25(34)24(14-21)33-39(3,37)38)15-19-6-4-5-18(11-19)13-27(36)31-16-20-7-9-22(29)23(30)12-20/h4-12,14,26,32-35H,13,15-17H2,1-3H3,(H,31,36)/t26-/m0/s1
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n/an/an/an/a 0.0700n/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))
BDBM50326536
PNG
((R)-N-(2-chloro-4-hydroxybenzyl)-N-ethyl-2-(3-(2-(...)
Show SMILES CCN(Cc1ccc(O)cc1Cl)C(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1
Show InChI InChI=1S/C30H38ClN3O6S/c1-5-34(19-23-9-11-24(35)16-25(23)31)29(38)14-20-7-6-8-21(13-20)17-30(2,3)32-18-28(37)22-10-12-27(36)26(15-22)33-41(4,39)40/h6-13,15-16,28,32-33,35-37H,5,14,17-19H2,1-4H3/t28-/m0/s1
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n/an/an/an/a 0.370n/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))
BDBM50326544
PNG
((R)-N-(2-chloro-4-hydroxybenzyl)-2-(3-(2-(2-hydrox...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2ccc(O)cc2Cl)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C28H34ClN3O6S/c1-28(2,31-17-26(35)20-8-10-25(34)24(13-20)32-39(3,37)38)15-19-6-4-5-18(11-19)12-27(36)30-16-21-7-9-22(33)14-23(21)29/h4-11,13-14,26,31-35H,12,15-17H2,1-3H3,(H,30,36)/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))
BDBM50326537
PNG
((R)-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(methylsulfo...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2cccc(c2)-c2ccc(O)cc2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C34H39N3O6S/c1-34(2,36-22-32(40)28-12-15-31(39)30(19-28)37-44(3,42)43)20-24-7-4-6-23(16-24)18-33(41)35-21-25-8-5-9-27(17-25)26-10-13-29(38)14-11-26/h4-17,19,32,36-40H,18,20-22H2,1-3H3,(H,35,41)/t32-/m0/s1
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n/an/an/an/a 0.260n/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))
BDBM50326542
PNG
((R)-N-(3,5-dichloro-4-hydroxybenzyl)-2-(3-(2-(2-hy...)
Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2cc(Cl)c(O)c(Cl)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C28H33Cl2N3O6S/c1-28(2,32-16-25(35)20-7-8-24(34)23(13-20)33-40(3,38)39)14-18-6-4-5-17(9-18)12-26(36)31-15-19-10-21(29)27(37)22(30)11-19/h4-11,13,25,32-35,37H,12,14-16H2,1-3H3,(H,31,36)/t25-/m0/s1
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n/an/an/an/a 0.0900n/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))
BDBM50326543
PNG
((R)-N-(4-hydroxy-2,6-dimethylbenzyl)-2-(3-(2-(2-hy...)
Show SMILES Cc1cc(O)cc(C)c1CNC(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1
Show InChI InChI=1S/C30H39N3O6S/c1-19-11-24(34)12-20(2)25(19)17-31-29(37)14-21-7-6-8-22(13-21)16-30(3,4)32-18-28(36)23-9-10-27(35)26(15-23)33-40(5,38)39/h6-13,15,28,32-36H,14,16-18H2,1-5H3,(H,31,37)/t28-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 0.0500n/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