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Compile Data Set for Download or QSAR

Found 21 hits of ic50 data for polymerid = 5366   
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
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/a 1.80n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/a 5.30n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002132
PNG
((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50272481
PNG
(CHEMBL4128940)
Show SMILES Cl.COc1ccc(CCNCC(O)COc2cccc3c2oc2ccccc2c3=O)cc1OC
Show InChI InChI=1S/C26H27NO6.ClH/c1-30-22-11-10-17(14-24(22)31-2)12-13-27-15-18(28)16-32-23-9-5-7-20-25(29)19-6-3-4-8-21(19)33-26(20)23;/h3-11,14,18,27-28H,12-13,15-16H2,1-2H3;1H
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n/an/a 106n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...


Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50272483
PNG
(CHEMBL4128794)
Show SMILES Cl.COc1ccccc1CNCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C24H23NO5.ClH/c1-28-20-10-4-2-7-16(20)13-25-14-17(26)15-29-22-12-6-9-19-23(27)18-8-3-5-11-21(18)30-24(19)22;/h2-12,17,25-26H,13-15H2,1H3;1H
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n/an/a 179n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...


Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50272471
PNG
(CHEMBL4127540)
Show SMILES Cl.COc1ccccc1OCCNCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C25H25NO6.ClH/c1-29-21-10-4-5-11-22(21)30-14-13-26-15-17(27)16-31-23-12-6-8-19-24(28)18-7-2-3-9-20(18)32-25(19)23;/h2-12,17,26-27H,13-16H2,1H3;1H
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n/an/a 179n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...


Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50272482
PNG
(CHEMBL4130151)
Show SMILES Cl.COc1ccccc1CCNCC(O)COc1cccc2c1oc1ccccc1c2=O
Show InChI InChI=1S/C25H25NO5.ClH/c1-29-21-10-4-2-7-17(21)13-14-26-15-18(27)16-30-23-12-6-9-20-24(28)19-8-3-5-11-22(19)31-25(20)23;/h2-12,18,26-27H,13-16H2,1H3;1H
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n/an/a 426n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...


Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002132
PNG
((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50272472
PNG
(CHEMBL4128231)
Show SMILES Cl.Cc1cccc2c1oc1cc(OCC(O)CNC(C)(C)C)ccc1c2=O
Show InChI InChI=1S/C21H25NO4.ClH/c1-13-6-5-7-17-19(24)16-9-8-15(10-18(16)26-20(13)17)25-12-14(23)11-22-21(2,3)4;/h5-10,14,22-23H,11-12H2,1-4H3;1H
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n/an/a 785n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...


Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50272473
PNG
(CHEMBL4126588)
Show SMILES Cl.OC(COc1cccc2c1oc1ccccc1c2=O)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H25N3O4.ClH/c29-18(16-27-12-14-28(15-13-27)23-10-3-4-11-26-23)17-31-22-9-5-7-20-24(30)19-6-1-2-8-21(19)32-25(20)22;/h1-11,18,29H,12-17H2;1H
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n/an/a 1.42E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting a...


Bioorg Med Chem 26: 3773-3784 (2018)


Article DOI: 10.1016/j.bmc.2018.04.038
BindingDB Entry DOI: 10.7270/Q2XG9TM7
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50019457
PNG
(2-Diethylamino-N-[4-(2-fluoro-benzoyl)-2,5-dimethy...)
Show SMILES CCN(CC)CC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
Show InChI InChI=1S/C18H23FN4O2/c1-5-23(6-2)11-15(24)20-18-16(12(3)21-22(18)4)17(25)13-9-7-8-10-14(13)19/h7-10H,5-6,11H2,1-4H3,(H,20,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the beta-1 adrenergic receptor using [3H]- DHA


J Med Chem 29: 1628-37 (1986)


BindingDB Entry DOI: 10.7270/Q2319TVF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-DHA


J Med Chem 29: 1628-37 (1986)


BindingDB Entry DOI: 10.7270/Q2319TVF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50019968
PNG
(7-Ethyl-1,3,5-trimethyl-6,7-dihydro-1H-1,2,4,5a,8-...)
Show SMILES CCC1CN2C(=N1)c1c(N=C2C)c(C)nn1C |c:5,10|
Show InChI InChI=1S/C12H17N5/c1-5-9-6-17-8(3)13-10-7(2)15-16(4)11(10)12(17)14-9/h9H,5-6H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHA (Dihydroalprenolol) from beta-1 adrenergic receptor in rat brain


J Med Chem 31: 454-61 (1988)


BindingDB Entry DOI: 10.7270/Q25T3JGG
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-DHA


J Med Chem 29: 1628-37 (1986)


BindingDB Entry DOI: 10.7270/Q2319TVF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHA (Dihydroalprenolol) from beta-1 adrenergic receptor in rat brain


J Med Chem 31: 454-61 (1988)


BindingDB Entry DOI: 10.7270/Q25T3JGG
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50019458
PNG
(CHEMBL45063 | N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl...)
Show SMILES CC1CCCCN1CCCNCC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
Show InChI InChI=1S/C23H32FN5O2/c1-16-9-6-7-13-29(16)14-8-12-25-15-20(30)26-23-21(17(2)27-28(23)3)22(31)18-10-4-5-11-19(18)24/h4-5,10-11,16,25H,6-9,12-15H2,1-3H3,(H,26,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-DHA


J Med Chem 29: 1628-37 (1986)


BindingDB Entry DOI: 10.7270/Q2319TVF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002134
PNG
(5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl...)
Show SMILES C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2/t11-,15+/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002134
PNG
(5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl...)
Show SMILES C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2/t11-,15+/m1/s1
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UniChem

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PubMed
n/an/a 1.30E+6n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair