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Compile Data Set for Download or QSAR

Found 3176 hits with Last Name = 'zhu' and Initial = 'w'   
Target/Host
(Institution)
LigandTarget/Host
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
AGTR1


(RAT)
BDBM50161275
PNG
(CHEMBL3787059)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1
Show InChI InChI=1S/C23H21ClN4O4/c1-2-3-8-18-25-20(24)19(22(29)30)28(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-26-23(31)32-27-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,29,30)(H,26,27,31)
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2n/an/an/an/an/an/an/an/a



Donghua University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method


Bioorg Med Chem 24: 2023-31 (2016)


BindingDB Entry DOI: 10.7270/Q2XW4MQB
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50161276
PNG
(CHEMBL3786570)
Show SMILES CCCCc1nc(Cl)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1
Show InChI InChI=1S/C23H21ClN4O3/c1-2-3-8-20-25-21(24)19(14-29)28(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-26-23(30)31-27-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,26,27,30)
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3.10n/an/an/an/an/an/an/an/a



Donghua University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method


Bioorg Med Chem 24: 2023-31 (2016)


BindingDB Entry DOI: 10.7270/Q2XW4MQB
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50161277
PNG
(CHEMBL3787050)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1
Show InChI InChI=1S/C23H23ClN4O3/c1-2-3-8-20-25-21(24)19(14-29)28(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-26-23(30)31-27-22/h4-7,9-12,29H,2-3,8,13-14H2,1H3,(H,26,27,30)
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4.30n/an/an/an/an/an/an/an/a



Donghua University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method


Bioorg Med Chem 24: 2023-31 (2016)


BindingDB Entry DOI: 10.7270/Q2XW4MQB
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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14n/an/an/an/an/an/an/an/a



Donghua University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method


Bioorg Med Chem 24: 2023-31 (2016)


BindingDB Entry DOI: 10.7270/Q2XW4MQB
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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27n/an/an/an/an/an/an/an/a



Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ...


Bioorg Med Chem Lett 25: 2579-83 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.029
BindingDB Entry DOI: 10.7270/Q2SQ9224
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50084039
PNG
(CHEMBL3425797)
Show SMILES [#6]-[#8]-c1cc2-[#8]-[#6@H](-[#6]-[#6](=O)-c2cc1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/s2
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169n/an/an/an/an/an/an/an/a



Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ...


Bioorg Med Chem Lett 25: 2579-83 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.029
BindingDB Entry DOI: 10.7270/Q2SQ9224
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50084041
PNG
(BAVACHININ | Bavachinin)
Show SMILES [#6]-[#8]-c1cc2oc(cc(=O)c2cc1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8])cc1
Show InChI InChI=1S/C21H20O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-12,22H,5H2,1-3H3
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176n/an/an/an/an/an/an/an/a



Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ...


Bioorg Med Chem Lett 25: 2579-83 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.029
BindingDB Entry DOI: 10.7270/Q2SQ9224
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM13465
PNG
((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)C(N)=O |r|
Show InChI InChI=1S/C23H26N4O6S/c1-14(28)25-19(12-15-5-3-2-4-6-15)23(31)26-18(22(24)30)11-16-7-9-17(10-8-16)20-13-21(29)27-34(20,32)33/h2-10,18-20H,11-13H2,1H3,(H2,24,30)(H,25,28)(H,26,31)(H,27,29)/t18-,19-,20-/m0/s1
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180n/an/an/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition constant against protein-tyrosine phosphatase 1B by PNPP enzyme assay


J Med Chem 48: 6544-8 (2005)


Article DOI: 10.1021/jm0504555
BindingDB Entry DOI: 10.7270/Q2805252
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50084040
PNG
(BAVACHININ A | Bavachinin A)
Show SMILES [#6]-[#8]-c1cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2cc1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8])cc1
Show InChI InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1
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221n/an/an/an/an/an/an/an/a



Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ...


Bioorg Med Chem Lett 25: 2579-83 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.029
BindingDB Entry DOI: 10.7270/Q2SQ9224
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213115
PNG
((R,R)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21+/m1/s1
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240n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Dehydrosqualene synthase


(Staphylococcus aureus)
BDBM50388903
PNG
(CHEMBL2063253)
Show SMILES OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C19H19NO5/c21-17(19(23)24)13-18(22)20-11-5-7-14-6-4-10-16(12-14)25-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,20,22)(H,23,24)
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus His6-tagged CrtM expressed in Escherichia coli BL21(DE3) using Farnesyl pyrophosphate as substrate incubated for ...


ACS Med Chem Lett 3: 402-406 (2012)


Article DOI: 10.1021/ml300038t
BindingDB Entry DOI: 10.7270/Q2XW4KVQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213110
PNG
((R,S)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m0/s1
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340n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213098
PNG
((R,R)-(-)-fenoterol | CHEMBL388570 | US9492405, (R...)
Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1
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350n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Dehydrosqualene synthase


(Staphylococcus aureus)
BDBM50388398
PNG
(CHEMBL561057 | SQ-109)
Show SMILES CC(C)=CCC\C(C)=C\CNCCNC1C2CC3CC(C2)CC1C3 |TLB:18:19:16.17.23:14,23:22:20:16.17.18,13:14:20:16.17.18,13:14:16.17.23:20.19.21,THB:18:17:14:20.19.21,23:17:20:22.14.21,21:19:16:23.22.14,21:22:16:20.18.19,13:14:16:20.18.19,(-5.14,2.27,;-5.13,1.44,;-5.84,1.02,;-4.41,1.04,;-3.7,1.46,;-2.98,1.06,;-2.28,1.48,;-2.29,2.3,;-1.56,1.08,;-.85,1.5,;-.13,1.09,;.58,1.51,;1.3,1.11,;2.04,1.48,;2.72,1.02,;2.74,.22,;2.11,-.47,;2.91,-.24,;3.67,-.52,;4.2,.17,;3.46,-.03,;4.19,.99,;3.44,1.28,;2.89,.61,)|
Show InChI InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+
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360n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 27659 dehydrosqualene synthase expressed in Escherichia coli BL21(DE3) after 30 mins by spectrophotometric a...


J Med Chem 55: 4367-72 (2012)


Article DOI: 10.1021/jm300208p
BindingDB Entry DOI: 10.7270/Q2Z320QH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dehydrosqualene synthase


(Staphylococcus aureus)
BDBM50388906
PNG
(CHEMBL2063256)
Show SMILES CCCCCCOc1cccc(Cn2ccc(O)c(C(O)=O)c2=O)c1
Show InChI InChI=1S/C19H23NO5/c1-2-3-4-5-11-25-15-8-6-7-14(12-15)13-20-10-9-16(21)17(18(20)22)19(23)24/h6-10,12,21H,2-5,11,13H2,1H3,(H,23,24)
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450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus His6-tagged CrtM expressed in Escherichia coli BL21(DE3) using Farnesyl pyrophosphate as substrate incubated for ...


ACS Med Chem Lett 3: 402-406 (2012)


Article DOI: 10.1021/ml300038t
BindingDB Entry DOI: 10.7270/Q2XW4KVQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213099
PNG
((R,R)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18+/m1/s1
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480n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens (Human))
BDBM50388398
PNG
(CHEMBL561057 | SQ-109)
Show SMILES CC(C)=CCC\C(C)=C\CNCCNC1C2CC3CC(C2)CC1C3 |TLB:18:19:16.17.23:14,23:22:20:16.17.18,13:14:20:16.17.18,13:14:16.17.23:20.19.21,THB:18:17:14:20.19.21,23:17:20:22.14.21,21:19:16:23.22.14,21:22:16:20.18.19,13:14:16:20.18.19,(-5.14,2.27,;-5.13,1.44,;-5.84,1.02,;-4.41,1.04,;-3.7,1.46,;-2.98,1.06,;-2.28,1.48,;-2.29,2.3,;-1.56,1.08,;-.85,1.5,;-.13,1.09,;.58,1.51,;1.3,1.11,;2.04,1.48,;2.72,1.02,;2.74,.22,;2.11,-.47,;2.91,-.24,;3.67,-.52,;4.2,.17,;3.46,-.03,;4.19,.99,;3.44,1.28,;2.89,.61,)|
Show InChI InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+
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740n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human squalene synthase


J Med Chem 55: 4367-72 (2012)


Article DOI: 10.1021/jm300208p
BindingDB Entry DOI: 10.7270/Q2Z320QH
More data for this
Ligand-Target Pair
Dehydrosqualene synthase


(Staphylococcus aureus)
BDBM50388397
PNG
(CHEMBL39581)
Show SMILES N#CSCCOc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H13NO2S/c16-12-19-11-10-17-13-6-8-15(9-7-13)18-14-4-2-1-3-5-14/h1-9H,10-11H2
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1.50E+3n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 27659 dehydrosqualene synthase expressed in Escherichia coli BL21(DE3) after 30 mins by spectrophotometric a...


J Med Chem 55: 4367-72 (2012)


Article DOI: 10.1021/jm300208p
BindingDB Entry DOI: 10.7270/Q2Z320QH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213096
PNG
((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213117
PNG
((R,R)-(-)-5-[1-hydroxy-2-(1-methyl-2-phenylethylam...)
Show SMILES C[C@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H22N2O3/c1-11(6-12-2-4-14(18)5-3-12)19-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17,19-22H,6,10,18H2,1H3/t11-,17+/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213120
PNG
((R,S)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m0/s1
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1.95E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213101
PNG
((S,S)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21+/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213108
PNG
((R,R)-(-)-5-{2-[2-(4-aminophenyl)-1-methylethylami...)
Show SMILES C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO3/c1-12(7-13-5-3-2-4-6-13)18-11-17(21)14-8-15(19)10-16(20)9-14/h2-6,8-10,12,17-21H,7,11H2,1H3/t12-,17+/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50213115
PNG
((R,R)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21+/m1/s1
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3.35E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213106
PNG
((R,S)-(-)-fenoterol | CHEMBL229476 | US9492405, (R...)
Show SMILES C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17-/m0/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213097
PNG
((S,R)-(+)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m1/s1
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5.20E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213111
PNG
((R,S)-(-)-5-[1-hydroxy-2-(1-methyl-2-phenylethylam...)
Show SMILES C[C@@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H22N2O3/c1-11(6-12-2-4-14(18)5-3-12)19-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17,19-22H,6,10,18H2,1H3/t11-,17-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213112
PNG
((R,S)-(-)-5-{2-[2-(4-aminophenyl)-1-methylethylami...)
Show SMILES C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO3/c1-12(7-13-5-3-2-4-6-13)18-11-17(21)14-8-15(19)10-16(20)9-14/h2-6,8-10,12,17-21H,7,11H2,1H3/t12-,17-/m0/s1
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7.90E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213107
PNG
((R,R)-(-)-5-[1-hydroxy-2-(1-methylhexylamino)ethyl...)
Show SMILES CCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C14H23NO3/c1-3-4-5-10(2)15-9-14(18)11-6-12(16)8-13(17)7-11/h6-8,10,14-18H,3-5,9H2,1-2H3/t10-,14+/m1/s1
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9.30E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50213107
PNG
((R,R)-(-)-5-[1-hydroxy-2-(1-methylhexylamino)ethyl...)
Show SMILES CCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C14H23NO3/c1-3-4-5-10(2)15-9-14(18)11-6-12(16)8-13(17)7-11/h6-8,10,14-18H,3-5,9H2,1-2H3/t10-,14+/m1/s1
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1.02E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213103
PNG
((S,R)-(+)-fenoterol | CHEMBL229477 | US9492405, (S...)
Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17-/m1/s1
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1.02E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213119
PNG
((R)-(-)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...)
Show SMILES O[C@@H](CNCCc1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m0/s1
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1.05E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50213098
PNG
((R,R)-(-)-fenoterol | CHEMBL388570 | US9492405, (R...)
Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1
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1.48E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50213110
PNG
((R,S)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m0/s1
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1.58E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213102
PNG
((S,S)-(+)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18+/m0/s1
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1.58E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50213117
PNG
((R,R)-(-)-5-[1-hydroxy-2-(1-methyl-2-phenylethylam...)
Show SMILES C[C@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H22N2O3/c1-11(6-12-2-4-14(18)5-3-12)19-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17,19-22H,6,10,18H2,1H3/t11-,17+/m1/s1
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1.72E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50213106
PNG
((R,S)-(-)-fenoterol | CHEMBL229476 | US9492405, (R...)
Show SMILES C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17-/m0/s1
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1.89E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213121
PNG
((S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...)
Show SMILES O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m1/s1
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2.04E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50213099
PNG
((R,R)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18+/m1/s1
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2.19E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213116
PNG
((S,R)-(+)-5-{2-[2-(4-aminophenyl)-1-methylethylami...)
Show SMILES C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO3/c1-12(7-13-5-3-2-4-6-13)18-11-17(21)14-8-15(19)10-16(20)9-14/h2-6,8-10,12,17-21H,7,11H2,1H3/t12-,17-/m1/s1
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2.29E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50213108
PNG
((R,R)-(-)-5-{2-[2-(4-aminophenyl)-1-methylethylami...)
Show SMILES C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO3/c1-12(7-13-5-3-2-4-6-13)18-11-17(21)14-8-15(19)10-16(20)9-14/h2-6,8-10,12,17-21H,7,11H2,1H3/t12-,17+/m1/s1
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2.49E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213114
PNG
((S,S)-(+)-fenoterol | CHEMBL389390 | US9492405, (S...)
Show SMILES C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m0/s1
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2.75E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213118
PNG
((S,S)-(+)-5-{2-[2-(4-aminophenyl)-1-methylethylami...)
Show SMILES C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO3/c1-12(7-13-5-3-2-4-6-13)18-11-17(21)14-8-15(19)10-16(20)9-14/h2-6,8-10,12,17-21H,7,11H2,1H3/t12-,17+/m0/s1
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2.88E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213104
PNG
((S,S)-(+)-5-[1-hydroxy-2-(1-methyl-2-phenylethylam...)
Show SMILES C[C@@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H22N2O3/c1-11(6-12-2-4-14(18)5-3-12)19-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17,19-22H,6,10,18H2,1H3/t11-,17+/m0/s1
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2.88E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50213120
PNG
((R,S)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m0/s1
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3.08E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213100
PNG
((S,R)-(+)-5-[1-hydroxy-2-(1-methyl-2-phenylethylam...)
Show SMILES C[C@H](Cc1ccc(N)cc1)NC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H22N2O3/c1-11(6-12-2-4-14(18)5-3-12)19-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17,19-22H,6,10,18H2,1H3/t11-,17-/m1/s1
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3.09E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50213112
PNG
((R,S)-(-)-5-{2-[2-(4-aminophenyl)-1-methylethylami...)
Show SMILES C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO3/c1-12(7-13-5-3-2-4-6-13)18-11-17(21)14-8-15(19)10-16(20)9-14/h2-6,8-10,12,17-21H,7,11H2,1H3/t12-,17-/m0/s1
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3.13E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50213118
PNG
((S,S)-(+)-5-{2-[2-(4-aminophenyl)-1-methylethylami...)
Show SMILES C[C@@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO3/c1-12(7-13-5-3-2-4-6-13)18-11-17(21)14-8-15(19)10-16(20)9-14/h2-6,8-10,12,17-21H,7,11H2,1H3/t12-,17+/m0/s1
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3.14E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50213109
PNG
((R,S)-(-)-5-[1-hydroxy-2-(1-methylhexylamino)ethyl...)
Show SMILES CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C14H23NO3/c1-3-4-5-10(2)15-9-14(18)11-6-12(16)8-13(17)7-11/h6-8,10,14-18H,3-5,9H2,1-2H3/t10-,14-/m0/s1
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3.16E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50213111
PNG
((R,S)-(-)-5-[1-hydroxy-2-(1-methyl-2-phenylethylam...)
Show SMILES C[C@@H](Cc1ccc(N)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H22N2O3/c1-11(6-12-2-4-14(18)5-3-12)19-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17,19-22H,6,10,18H2,1H3/t11-,17-/m0/s1
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3.31E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
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