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Compile Data Set for Download or QSAR

Found 445 hits Enz. Inhib. hit(s) with Target = 'ADRB1'   
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
Beta-1 adrenergic receptor


(Mus musculus)
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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5.10n/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 mouse beta1 receptor expressed in HEK293 cells


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


(GUINEA PIG)
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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5.24n/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
Beta-1 adrenergic receptor


(Mus musculus)
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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5.80n/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 mouse beta1 receptor expressed in HEK293 cells


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


(GUINEA PIG)
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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7.24n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82484
PNG
(TMQ, 3'-Iodo)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(I)c1OC
Show InChI InChI=1S/C18H20INO4/c1-23-17-7-10(5-13(19)18(17)24-2)6-14-12-9-16(22)15(21)8-11(12)3-4-20-14/h5,7-9,14,20-22H,3-4,6H2,1-2H3
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10n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
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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10.5n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82481
PNG
(CAS_128657 | NSC_128657 | TMQ, 5-Fluoro)
Show SMILES COc1cc(CC2NCCc3c(F)c(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-15-7-10(8-16(25-2)19(15)26-3)6-13-12-9-14(22)18(23)17(20)11(12)4-5-21-13/h7-9,13,21-23H,4-6H2,1-3H3
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24.5n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82491
PNG
(TMQ, 3'-Nitro)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(c1OC)[N+]([O-])=O
Show InChI InChI=1S/C18H20N2O6/c1-25-17-7-10(6-14(20(23)24)18(17)26-2)5-13-12-9-16(22)15(21)8-11(12)3-4-19-13/h6-9,13,19,21-22H,3-5H2,1-2H3
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31.6n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82488
PNG
(TMQ, 5-Iodo)
Show SMILES COc1cc(CC2NCCc3c(I)c(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H22INO5/c1-24-15-7-10(8-16(25-2)19(15)26-3)6-13-12-9-14(22)18(23)17(20)11(12)4-5-21-13/h7-9,13,21-23H,4-6H2,1-3H3
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33.9n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82498
PNG
(TMQ, 5,8-Difluoro)
Show SMILES COc1cc(CC2NCCc3c(F)c(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H21F2NO5/c1-25-12-7-9(8-13(26-2)19(12)27-3)6-11-14-10(4-5-22-11)15(20)17(23)18(24)16(14)21/h7-8,11,22-24H,4-6H2,1-3H3
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34.7n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82482
PNG
(TMQ, S-(+)-8-Fluoro)
Show SMILES COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m0/s1
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75.8n/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
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50167063
PNG
(CHEMBL3800341)
Show SMILES COc1cc(CCNCCc2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C28H32N2O5/c1-33-25-18-21(9-12-24(25)34-17-5-8-20-6-3-2-4-7-20)13-15-29-16-14-22-10-11-23(31)27-28(22)35-19-26(32)30-27/h2-4,6-7,9-12,18,29,31H,5,8,13-17,19H2,1H3,(H,30,32)
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79n/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 mouse beta1 receptor expressed in HEK293 cells


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


(Mus musculus)
BDBM50166977
PNG
(CHEMBL3800303)
Show SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
Show InChI InChI=1/C26H31NO5/c1-31-26-16-20(9-12-25(26)32-15-5-8-19-6-3-2-4-7-19)13-14-27-18-24(30)21-10-11-22(28)23(29)17-21/h2-4,6-7,9-12,16-17,24,27-30H,5,8,13-15,18H2,1H3/t24-/s2
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85n/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 mouse beta1 receptor expressed in HEK293 cells


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


(GUINEA PIG)
BDBM50019355
PNG
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3
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87.1n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82493
PNG
(CAS_128658 | NSC_128658 | TMQ, (+/-)-8-Fluoro)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3
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97.7n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82503
PNG
(CAS_65772 | NSC_65772 | TMQ, S-(-))
Show SMILES COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3/t14-/m0/s1
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110n/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
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50166976
PNG
(CHEMBL3799455)
Show SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C29H32N2O4/c1-34-27-20-22(9-13-26(27)35-19-5-8-21-6-3-2-4-7-21)15-17-30-18-16-23-10-12-25(32)29-24(23)11-14-28(33)31-29/h2-4,6-7,9-14,20,30,32H,5,8,15-19H2,1H3,(H,31,33)
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150n/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 mouse beta1 receptor expressed in HEK293 cells


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


(GUINEA PIG)
BDBM50002146
PNG
(3,6-Dimethyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazi...)
Show SMILES Cc1cnc2c(nc(C)cn12)N1CCNCC1
Show InChI InChI=1S/C12H17N5/c1-9-8-17-10(2)7-14-11(17)12(15-9)16-5-3-13-4-6-16/h7-8,13H,3-6H2,1-2H3
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150n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)

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


(Mus musculus)
BDBM50167064
PNG
(CHEMBL3797876)
Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/s2
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160n/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 mouse beta1 receptor expressed in HEK293 cells


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


(GUINEA PIG)
BDBM50002150
PNG
(5-Bromo-8-piperazin-1-yl-imidazo[1,2-a]pyrazine | ...)
Show SMILES Brc1cnc(N2CCNCC2)c2nccn12
Show InChI InChI=1S/C10H12BrN5/c11-8-7-14-9(10-13-3-6-16(8)10)15-4-1-12-2-5-15/h3,6-7,12H,1-2,4-5H2
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170n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)

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


(Mus musculus)
BDBM50166980
PNG
(CHEMBL3797205)
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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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 mouse beta1 receptor expressed in HEK293 cells


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


(Mus musculus)
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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220n/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 mouse beta1 receptor expressed in HEK293 cells


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


(GUINEA PIG)
BDBM50002152
PNG
(6-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cn2ccnc2c(n1)N1CCNCC1
Show InChI InChI=1S/C11H15N5/c1-9-8-16-7-4-13-10(16)11(14-9)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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220n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)

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


(Mus musculus)
BDBM50167067
PNG
(CHEMBL3800468)
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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300n/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 mouse beta1 receptor expressed in HEK293 cells


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


(GUINEA PIG)
BDBM50002156
PNG
(2-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cn2ccnc(N3CCNCC3)c2n1
Show InChI InChI=1S/C11H15N5/c1-9-8-16-7-4-13-10(11(16)14-9)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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310n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)

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


(GUINEA PIG)
BDBM82486
PNG
(TMQ, N-methoxybenzyl | TMQ, N-methyl)
Show SMILES COc1cc(CC2N(C)CCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C20H25NO5/c1-21-6-5-13-10-16(22)17(23)11-14(13)15(21)7-12-8-18(24-2)20(26-4)19(9-12)25-3/h8-11,15,22-23H,5-7H2,1-4H3
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324n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019060
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
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350n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)

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


(GUINEA PIG)
BDBM50002142
PNG
(5-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cnc(N2CCNCC2)c2nccn12
Show InChI InChI=1S/C11H15N5/c1-9-8-14-10(11-13-4-7-16(9)11)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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360n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)

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


(GUINEA PIG)
BDBM50002151
PNG
(8-Piperazin-1-yl-imidazo[1,2-a]pyrazine | CHEMBL33...)
Show SMILES C1CN(CCN1)c1nccn2ccnc12
Show InChI InChI=1S/C10H13N5/c1-5-14(6-2-11-1)9-10-13-4-8-15(10)7-3-12-9/h3-4,7-8,11H,1-2,5-6H2
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400n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)

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


(GUINEA PIG)
BDBM50002138
PNG
(3,5-Dimethyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazi...)
Show SMILES Cc1cnc2c(ncc(C)n12)N1CCNCC1
Show InChI InChI=1S/C12H17N5/c1-9-7-14-11(16-5-3-13-4-6-16)12-15-8-10(2)17(9)12/h7-8,13H,3-6H2,1-2H3
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400n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)

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


(GUINEA PIG)
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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400n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)

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


(GUINEA PIG)
BDBM82500
PNG
(TMQ, 3'-Amino)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(N)c1OC
Show InChI InChI=1S/C18H22N2O4/c1-23-17-7-10(5-13(19)18(17)24-2)6-14-12-9-16(22)15(21)8-11(12)3-4-20-14/h5,7-9,14,20-22H,3-4,6,19H2,1-2H3
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457n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
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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468n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50002154
PNG
(5-Bromo-8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]...)
Show SMILES CN1CCN(CC1)c1ncc(Br)n2ccnc12
Show InChI InChI=1S/C11H14BrN5/c1-15-4-6-16(7-5-15)10-11-13-2-3-17(11)9(12)8-14-10/h2-3,8H,4-7H2,1H3
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500n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)

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


(Mus musculus)
BDBM50167068
PNG
(CHEMBL3799427)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
Show InChI InChI=1/C26H31NO5/c1-31-26-16-20(9-12-25(26)32-15-5-8-19-6-3-2-4-7-19)13-14-27-18-24(30)21-10-11-22(28)23(29)17-21/h2-4,6-7,9-12,16-17,24,27-30H,5,8,13-15,18H2,1H3/t24-/s2
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530n/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 mouse beta1 receptor expressed in HEK293 cells


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


(GUINEA PIG)
BDBM50002157
PNG
(3,5-Dibromo-8-piperazin-1-yl-imidazo[1,2-a]pyrazin...)
Show SMILES Brc1cnc2c(ncc(Br)n12)N1CCNCC1
Show InChI InChI=1S/C10H11Br2N5/c11-7-5-14-9(16-3-1-13-2-4-16)10-15-6-8(12)17(7)10/h5-6,13H,1-4H2
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630n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)

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


(GUINEA PIG)
BDBM82502
PNG
(TMQ, 8-Iodo)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)c(I)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22INO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3
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631n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82504
PNG
(TMQ, 5-TrifluoroMe)
Show SMILES COc1cc(CC2NCCc3c2cc(O)c(O)c3C(F)(F)F)cc(OC)c1OC
Show InChI InChI=1S/C20H22F3NO5/c1-27-15-7-10(8-16(28-2)19(15)29-3)6-13-12-9-14(25)18(26)17(20(21,22)23)11(12)4-5-24-13/h7-9,13,24-26H,4-6H2,1-3H3
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1.10E+3n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82485
PNG
(TMQ, N-benzyl)
Show SMILES COc1cc(CC2N(Cc3ccccc3)CCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C26H29NO5/c1-30-24-12-18(13-25(31-2)26(24)32-3)11-21-20-15-23(29)22(28)14-19(20)9-10-27(21)16-17-7-5-4-6-8-17/h4-8,12-15,21,28-29H,9-11,16H2,1-3H3
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1.10E+3n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM82497
PNG
(TMQ, R-(-)-8-Fluoro)
Show SMILES COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC
Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m1/s1
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1.15E+3n/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
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50167069
PNG
(CHEMBL3799593)
Show SMILES COc1ccccc1OCCNC[C@@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/s2
UniProtKB/SwissProt

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1.50E+3n/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 mouse beta1 receptor expressed in HEK293 cells


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


(GUINEA PIG)
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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1.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)

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


(Mus musculus)
BDBM50166978
PNG
(CHEMBL3800636)
Show SMILES COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C26H31NO4/c1-30-26-19-22(14-16-27-15-13-21-9-11-23(28)24(29)18-21)10-12-25(26)31-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,18-19,27-29H,5,8,13-17H2,1H3
UniProtKB/SwissProt

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2.30E+3n/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 mouse beta1 receptor expressed in HEK293 cells


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


(GUINEA PIG)
BDBM50002139
PNG
(3-Methyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazine; ...)
Show SMILES Cc1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C11H15N5/c1-9-8-14-11-10(13-4-7-16(9)11)15-5-2-12-3-6-15/h4,7-8,12H,2-3,5-6H2,1H3
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2.40E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)

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


(GUINEA PIG)
BDBM50002145
PNG
(5-Methyl-8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a...)
Show SMILES CN1CCN(CC1)c1ncc(C)n2ccnc12
Show InChI InChI=1S/C12H17N5/c1-10-9-14-11(12-13-3-4-17(10)12)16-7-5-15(2)6-8-16/h3-4,9H,5-8H2,1-2H3
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2.80E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)

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


(GUINEA PIG)
BDBM50002149
PNG
(3-Isopropyl-8-piperazin-1-yl-imidazo[1,2-a]pyrazin...)
Show SMILES CC(C)c1cnc2c(nccn12)N1CCNCC1
Show InChI InChI=1S/C13H19N5/c1-10(2)11-9-16-13-12(15-5-8-18(11)13)17-6-3-14-4-7-17/h5,8-10,14H,3-4,6-7H2,1-2H3
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2.99E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement


J Med Chem 35: 3845-57 (1992)

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


(GUINEA PIG)
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)

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


(GUINEA PIG)
BDBM50019061
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-...)
Show SMILES NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2
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>3.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)

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


(GUINEA PIG)
BDBM82495
PNG
(TMQ, N-dichlorobenzyl)
Show SMILES COc1cc(CC2N(Cc3ccc(Cl)c(Cl)c3)CCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C26H27Cl2NO5/c1-32-24-10-16(11-25(33-2)26(24)34-3)9-21-18-13-23(31)22(30)12-17(18)6-7-29(21)14-15-4-5-19(27)20(28)8-15/h4-5,8,10-13,21,30-31H,6-7,9,14H2,1-3H3
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3.55E+3n/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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50131281
PNG
(5-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamin...)
Show SMILES CC(Cc1ccc(O)cc1)NCC(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
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4.17E+3n/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
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