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Compile Data Set for Download or QSAR

Found 2505 hits Enz. Inhib. hit(s) with Target = 'ADRB2'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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PubMed
0.0100n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Psychopharmacology (Berl) 124: 57-73 (1996)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50379086
PNG
(CHEMBL2012521 | CHEMBL2012522 | LY-377604)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C31H32N4O4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37)/t22-/m0/s1
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Article
0.0120n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]Iodocyanopindolol from human adrenergic beta2 receptor expressed in insect sf9 cells by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50167072
PNG
(CHEMBL3799125)
Show SMILES COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/s2
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0.0340n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM85818
PNG
(Fluorocarazolol,(R) | Fluorocarazolol,(S))
Show SMILES CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3
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PubMed
0.0790n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 157: 111-4 (2001)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50318987
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-(pyridin-3-ylmethyl)p...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1
Show InChI InChI=1S/C26H29N3O2/c30-21(17-29-13-10-19(11-14-29)15-20-5-4-12-27-16-20)18-31-25-9-3-8-24-26(25)22-6-1-2-7-23(22)28-24/h1-9,12,16,19,21,28,30H,10-11,13-15,17-18H2
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0.100n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50098668
PNG
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-1,3-dihydr...)
Show SMILES CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12
Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)/t9-/m0/s1
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PubMed
0.100n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors


J Med Chem 44: 1456-66 (2001)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50027663
PNG
(1-(9H-Carbazol-4-yloxy)-3-isopropylamino-propan-2-...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3
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PubMed
0.114n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter


Bioorg Med Chem Lett 18: 5391-5 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM85818
PNG
(Fluorocarazolol,(R) | Fluorocarazolol,(S))
Show SMILES CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3
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PubMed
0.138n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 157: 111-4 (2001)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50274012
PNG
(1-tert-Butylamino-3-(dibenzofuran-1-yloxy)-propan-...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2oc3ccccc3c12
Show InChI InChI=1S/C19H23NO3/c1-19(2,3)20-11-13(21)12-22-16-9-6-10-17-18(16)14-7-4-5-8-15(14)23-17/h4-10,13,20-21H,11-12H2,1-3H3
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0.145n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter


Bioorg Med Chem Lett 18: 5391-5 (2008)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25771
PNG
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
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0.180n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50318989
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C28H30N2O4/c1-33-22-11-9-19(10-12-22)28(32)20-13-15-30(16-14-20)17-21(31)18-34-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,20-21,29,31H,13-18H2,1H3
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0.200n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50318986
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-(4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1
Show InChI InChI=1S/C28H32N2O3/c1-32-23-11-9-20(10-12-23)17-21-13-15-30(16-14-21)18-22(31)19-33-27-8-4-7-26-28(27)24-5-2-3-6-25(24)29-26/h2-12,21-22,29,31H,13-19H2,1H3
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0.200n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50318988
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H28N2O3/c30-21(17-29-15-13-20(14-16-29)27(31)19-7-2-1-3-8-19)18-32-25-12-6-11-24-26(25)22-9-4-5-10-23(22)28-24/h1-12,20-21,28,30H,13-18H2
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0.200n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50166979
PNG
(CHEMBL3798748)
Show SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1
Show InChI InChI=1/C28H32N2O6/c1-34-25-16-20(9-12-24(25)35-15-5-8-19-6-3-2-4-7-19)13-14-29-17-23(32)21-10-11-22(31)27-28(21)36-18-26(33)30-27/h2-4,6-7,9-12,16,23,29,31-32H,5,8,13-15,17-18H2,1H3,(H,30,33)/t23-/s2
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0.25n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50324835
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(3-(methyl(phenyl)ami...)
Show SMILES CN(CCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccccc1
Show InChI InChI=1S/C19H23N3O3S/c1-22(13-6-3-2-4-7-13)11-5-10-20-12-16(24)14-8-9-15(23)17-18(14)26-19(25)21-17/h2-4,6-9,16,20,23-24H,5,10-12H2,1H3,(H,21,25)/t16-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50274013
PNG
(1-(4-benzhydrylpiperazin-1-yl)-3-(3-methyl-1H-indo...)
Show SMILES Cc1c[nH]c2cccc(OCC(O)CN3CCN(CC3)C(c3ccccc3)c3ccccc3)c12
Show InChI InChI=1S/C29H33N3O2/c1-22-19-30-26-13-8-14-27(28(22)26)34-21-25(33)20-31-15-17-32(18-16-31)29(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,19,25,29-30,33H,15-18,20-21H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

Curated by ChEMBL


Assay Description
Displacement of radioligand from human adrenergic beta2 receptor


J Med Chem 54: 4283-311 (2011)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50318990
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2
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0.300n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50274013
PNG
(1-(4-benzhydrylpiperazin-1-yl)-3-(3-methyl-1H-indo...)
Show SMILES Cc1c[nH]c2cccc(OCC(O)CN3CCN(CC3)C(c3ccccc3)c3ccccc3)c12
Show InChI InChI=1S/C29H33N3O2/c1-22-19-30-26-13-8-14-27(28(22)26)34-21-25(33)20-31-15-17-32(18-16-31)29(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,19,25,29-30,33H,15-18,20-21H2,1H3
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0.311n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter


Bioorg Med Chem Lett 18: 5391-5 (2008)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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PubMed
0.380n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25771
PNG
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
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PubMed
0.390n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay


J Med Chem 53: 3675-84 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50055260
PNG
(CHEMBL3323658)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1CCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1/C22H26N2O3S/c25-18-12-11-16(21-20(18)24-22(27)28-21)19(26)13-23-17-8-4-7-15(17)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-12,15,17,19,23,25-26H,4,7-10,13H2,(H,24,27)/t15-,17-,19+/s2
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0.400n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human adrenergic beta2 receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50324847
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(2-methyl-1-phenylpro...)
Show SMILES CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H22N2O3S/c1-19(2,10-12-6-4-3-5-7-12)20-11-15(23)13-8-9-14(22)16-17(13)25-18(24)21-16/h3-9,15,20,22-23H,10-11H2,1-2H3,(H,21,24)/t15-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50167066
PNG
(CHEMBL3800400)
Show SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/s2
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0.480n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50324854
PNG
(7-((R)-2-((1R,2R)-2-(benzyloxy)cyclopentylamino)-1...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C21H24N2O4S/c24-16-10-9-14(20-19(16)23-21(26)28-20)17(25)11-22-15-7-4-8-18(15)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,15,17-18,22,24-25H,4,7-8,11-12H2,(H,23,26)/t15-,17+,18-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM81450
PNG
(CAS_112184 | Hydroxybenzylpindolol,(+/-) | NSC_112...)
Show SMILES CC(C)(Cc1ccc(O)cc1)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C21H26N2O3/c1-21(2,12-15-6-8-16(24)9-7-15)23-13-17(25)14-26-20-5-3-4-19-18(20)10-11-22-19/h3-11,17,22-25H,12-14H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 568-80 (1976)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50318985
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-benzylpiperidin-1-yl)...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O2/c30-22(18-29-15-13-21(14-16-29)17-20-7-2-1-3-8-20)19-31-26-12-6-11-25-27(26)23-9-4-5-10-24(23)28-25/h1-12,21-22,28,30H,13-19H2
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0.5n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25768
PNG
(1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(pro...)
Show SMILES CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3
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0.570n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM82487
PNG
(TMQ, 3',5'-Diiodo)
Show SMILES COc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C17H17I2NO3/c1-23-17-12(18)4-9(5-13(17)19)6-14-11-8-16(22)15(21)7-10(11)2-3-20-14/h4-5,7-8,14,20-22H,2-3,6H2,1H3
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0.580n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50421329
PNG
(CHEMBL2088201)
Show SMILES CCc1cc2CC(C)(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/t22-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay


Bioorg Med Chem Lett 22: 6280-5 (2012)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50055263
PNG
(CHEMBL3323654)
Show SMILES O[C@@H](CN[C@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14+,16+/s2
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0.600n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50324856
PNG
(7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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0.610n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50027185
PNG
(CHEMBL183921)
Show SMILES CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1/C22H25N3O5/c1-14(11-28-16-5-6-21-19(9-16)25-22(27)13-30-21)24-10-15(26)12-29-20-4-2-3-18-17(20)7-8-23-18/h2-9,14-15,23-24,26H,10-13H2,1H3,(H,25,27)
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0.630n/an/an/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Negative logarithm causing 50% receptor occupancy against beta-2 adrenergic receptor


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25768
PNG
(1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(pro...)
Show SMILES CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3
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0.630n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25768
PNG
(1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(pro...)
Show SMILES CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3
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0.700n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM82487
PNG
(TMQ, 3',5'-Diiodo)
Show SMILES COc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
Show InChI InChI=1S/C17H17I2NO3/c1-23-17-12(18)4-9(5-13(17)19)6-14-11-8-16(22)15(21)7-10(11)2-3-20-14/h4-5,7-8,14,20-22H,2-3,6H2,1H3
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0.740n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50324856
PNG
(7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50055250
PNG
(CHEMBL3323653)
Show SMILES O[C@@H](CN[C@H]1CCC[C@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16-/s2
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0.800n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50324857
PNG
(7-((R)-2-((trans)-bi(cyclopentan)-2-ylamino)-1-hyd...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14+,16-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50167073
PNG
(CHEMBL3798017)
Show SMILES COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/s2
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0.880n/an/an/an/an/an/an/an/a



Department of Chemistry and Pharmacy, Medicinal Chemistry, Emil Fischer Center, Friedrich-Alexander University, Schuhstraße 19, 91052 Erlangen, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM27960
PNG
((2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy...)
Show SMILES CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1
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1 -50.9 3n/an/an/an/a7.422



Intervet Innovation GmbH



Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...


J Med Chem 52: 1773-7 (2009)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25771
PNG
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
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1n/an/an/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Binding affinity for human beta-2 adrenergic receptor


Bioorg Med Chem Lett 14: 4705-10 (2004)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50021888
PNG
(CHEMBL3298987)
Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C35H38N4O4/c1-35(2,36)22-43-32-16-12-26(20-29(32)24-6-4-3-5-7-24)38-25-10-8-23(9-11-25)18-19-37-21-31(41)27-13-15-30(40)34-28(27)14-17-33(42)39-34/h3-17,20,31,37-38,40-41H,18-19,21-22,36H2,1-2H3,(H,39,42)/t31-/m0/s1
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1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay


Bioorg Med Chem Lett 24: 2871-6 (2014)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50324840
PNG
(7-((R)-2-((R)-1-cyclohexylethylamino)-1-hydroxyeth...)
Show SMILES C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1
Show InChI InChI=1S/C17H24N2O3S/c1-10(11-5-3-2-4-6-11)18-9-14(21)12-7-8-13(20)15-16(12)23-17(22)19-15/h7-8,10-11,14,18,20-21H,2-6,9H2,1H3,(H,19,22)/t10-,14+/m1/s1
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1n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50324846
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(3-phenylpropylamino)...)
Show SMILES O[C@@H](CNCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C18H20N2O3S/c21-14-9-8-13(17-16(14)20-18(23)24-17)15(22)11-19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,15,19,21-22H,4,7,10-11H2,(H,20,23)/t15-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50318979
PNG
(1-(2-isopropylphenoxy)-3-morpholinopropan-2-ol | C...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCOCC1
Show InChI InChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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1.20n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004)

More data for this
Ligand-Target Pair
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