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4 similar compounds to monomer 50296958

Wt: 494.6
BDBM50277531
Wt: 506.6
BDBM50277532
Wt: 520.6
BDBM50277480
Wt: 534.7
BDBM50277481

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50277531,50277532,50277480,50277481   
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))
BDBM50277531
PNG
(4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-...)
Show SMILES CC(C)Cc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C28H34N2O4S/c1-20(2)17-25-18-24(13-14-26(25)28(32)30-35(3,33)34)22-11-9-21(10-12-22)15-16-29-19-27(31)23-7-5-4-6-8-23/h4-14,18,20,27,29,31H,15-17,19H2,1-3H3,(H,30,32)/t27-/m0/s1
PDB
MMDB

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n/an/an/an/a>1.00E+4n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay


J Med Chem 52: 3063-72 (2009)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50277532
PNG
(3-Cyclopentyl-4'-(2-{[(2R)-2-hydroxy-2-phenylethyl...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1C1CCCC1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C29H34N2O4S/c1-36(34,35)31-29(33)26-16-15-25(19-27(26)23-7-5-6-8-23)22-13-11-21(12-14-22)17-18-30-20-28(32)24-9-3-2-4-10-24/h2-4,9-16,19,23,28,30,32H,5-8,17-18,20H2,1H3,(H,31,33)/t28-/m0/s1
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n/an/an/an/a 0.410n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay


J Med Chem 52: 3063-72 (2009)

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


(Homo sapiens (human))
BDBM50277532
PNG
(3-Cyclopentyl-4'-(2-{[(2R)-2-hydroxy-2-phenylethyl...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1C1CCCC1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C29H34N2O4S/c1-36(34,35)31-29(33)26-16-15-25(19-27(26)23-7-5-6-8-23)22-13-11-21(12-14-22)17-18-30-20-28(32)24-9-3-2-4-10-24/h2-4,9-16,19,23,28,30,32H,5-8,17-18,20H2,1H3,(H,31,33)/t28-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay


J Med Chem 52: 3063-72 (2009)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50277531
PNG
(4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-...)
Show SMILES CC(C)Cc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C28H34N2O4S/c1-20(2)17-25-18-24(13-14-26(25)28(32)30-35(3,33)34)22-11-9-21(10-12-22)15-16-29-19-27(31)23-7-5-4-6-8-23/h4-14,18,20,27,29,31H,15-17,19H2,1-3H3,(H,30,32)/t27-/m0/s1
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n/an/an/an/a 0.460n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay


J Med Chem 52: 3063-72 (2009)

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


(Homo sapiens (human))
BDBM50277481
PNG
(3-(Cyclohexylmethyl)-4'-(2-{[(2R)-2-hydroxy-2-phen...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1CC1CCCCC1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C31H38N2O4S/c1-38(36,37)33-31(35)29-17-16-27(21-28(29)20-24-8-4-2-5-9-24)25-14-12-23(13-15-25)18-19-32-22-30(34)26-10-6-3-7-11-26/h3,6-7,10-17,21,24,30,32,34H,2,4-5,8-9,18-20,22H2,1H3,(H,33,35)/t30-/m0/s1
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n/an/an/an/a 370n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay


J Med Chem 52: 3063-72 (2009)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)
BDBM50277531
PNG
(4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-...)
Show SMILES CC(C)Cc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C28H34N2O4S/c1-20(2)17-25-18-24(13-14-26(25)28(32)30-35(3,33)34)22-11-9-21(10-12-22)15-16-29-19-27(31)23-7-5-4-6-8-23/h4-14,18,20,27,29,31H,15-17,19H2,1-3H3,(H,30,32)/t27-/m0/s1
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n/an/an/an/a 0.880n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay


J Med Chem 52: 3063-72 (2009)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50277480
PNG
(3-Cyclohexyl-4'-(2-{[(2R)-2-hydroxy-2-phenylethyl]...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1C1CCCCC1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C30H36N2O4S/c1-37(35,36)32-30(34)27-17-16-26(20-28(27)24-8-4-2-5-9-24)23-14-12-22(13-15-23)18-19-31-21-29(33)25-10-6-3-7-11-25/h3,6-7,10-17,20,24,29,31,33H,2,4-5,8-9,18-19,21H2,1H3,(H,32,34)/t29-/m0/s1
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n/an/an/an/a 0.330n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay


J Med Chem 52: 3063-72 (2009)

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


(Homo sapiens (human))
BDBM50277480
PNG
(3-Cyclohexyl-4'-(2-{[(2R)-2-hydroxy-2-phenylethyl]...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1C1CCCCC1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C30H36N2O4S/c1-37(35,36)32-30(34)27-17-16-26(20-28(27)24-8-4-2-5-9-24)23-14-12-22(13-15-23)18-19-31-21-29(33)25-10-6-3-7-11-25/h3,6-7,10-17,20,24,29,31,33H,2,4-5,8-9,18-19,21H2,1H3,(H,32,34)/t29-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay


J Med Chem 52: 3063-72 (2009)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50277481
PNG
(3-(Cyclohexylmethyl)-4'-(2-{[(2R)-2-hydroxy-2-phen...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1CC1CCCCC1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C31H38N2O4S/c1-38(36,37)33-31(35)29-17-16-27(21-28(29)20-24-8-4-2-5-9-24)25-14-12-23(13-15-25)18-19-32-22-30(34)26-10-6-3-7-11-26/h3,6-7,10-17,21,24,30,32,34H,2,4-5,8-9,18-20,22H2,1H3,(H,33,35)/t30-/m0/s1
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n/an/an/an/a 0.540n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay


J Med Chem 52: 3063-72 (2009)

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


(Homo sapiens (human))
BDBM50277531
PNG
(4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-...)
Show SMILES CC(C)Cc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C28H34N2O4S/c1-20(2)17-25-18-24(13-14-26(25)28(32)30-35(3,33)34)22-11-9-21(10-12-22)15-16-29-19-27(31)23-7-5-4-6-8-23/h4-14,18,20,27,29,31H,15-17,19H2,1-3H3,(H,30,32)/t27-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay


J Med Chem 52: 3063-72 (2009)

More data for this
Ligand-Target Pair