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Compile Data Set for Download or QSAR

Found 51 hits of Enz. Inhib. data with enzyme = 'Beta-2 adrenergic receptor' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor


(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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0.790n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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0.830n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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0.970n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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1.09n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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1.14n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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2.34n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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2.63n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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2.75n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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2.81n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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4.26n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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6.60n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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8.31n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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9.77n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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11.0n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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11.5n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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12.9n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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22.9n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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27.5n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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33.1n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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37.1n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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44.7n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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57.5n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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105n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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107n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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363n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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372n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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417n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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490n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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490n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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513n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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851n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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912n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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1.17E+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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82492
PNG
(TMQ, N-chloro-benzyl)
Show SMILES COc1cc(CC2N(Cc3cccc(Cl)c3)CCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C26H28ClNO5/c1-31-24-11-17(12-25(32-2)26(24)33-3)10-21-20-14-23(30)22(29)13-18(20)7-8-28(21)15-16-5-4-6-19(27)9-16/h4-6,9,11-14,21,29-30H,7-8,10,15H2,1-3H3
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1.26E+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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82499
PNG
(TMQ, N-amino-benzyl)
Show SMILES COc1cc(CC2N(Cc3cccc(N)c3)CCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C26H30N2O5/c1-31-24-11-17(12-25(32-2)26(24)33-3)10-21-20-14-23(30)22(29)13-18(20)7-8-28(21)15-16-5-4-6-19(27)9-16/h4-6,9,11-14,21,29-30H,7-8,10,15,27H2,1-3H3
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1.32E+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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82496
PNG
(TMQ, N-nitro-benzyl)
Show SMILES COc1cc(CC2N(Cc3cccc(c3)[N+]([O-])=O)CCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C26H28N2O7/c1-33-24-11-17(12-25(34-2)26(24)35-3)10-21-20-14-23(30)22(29)13-18(20)7-8-27(21)15-16-5-4-6-19(9-16)28(31)32/h4-6,9,11-14,21,29-30H,7-8,10,15H2,1-3H3
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1.48E+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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82496
PNG
(TMQ, N-nitro-benzyl)
Show SMILES COc1cc(CC2N(Cc3cccc(c3)[N+]([O-])=O)CCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C26H28N2O7/c1-33-24-11-17(12-25(34-2)26(24)35-3)10-21-20-14-23(30)22(29)13-18(20)7-8-27(21)15-16-5-4-6-19(9-16)28(31)32/h4-6,9,11-14,21,29-30H,7-8,10,15H2,1-3H3
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1.62E+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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 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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1.86E+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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82501
PNG
(TMQ, Cyclic sulfite)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc2OS(=O)Oc12
Show InChI InChI=1S/C17H17NO6S/c1-22-15-5-9(6-16-17(15)24-25(21)23-16)4-12-11-8-14(20)13(19)7-10(11)2-3-18-12/h5-8,12,18-20H,2-4H2,1H3
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1.95E+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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
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2.40E+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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82490
PNG
(TMQ, N-hydroxyethyl)
Show SMILES COc1cc(CC2N(CCO)CCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C21H27NO6/c1-26-19-9-13(10-20(27-2)21(19)28-3)8-16-15-12-18(25)17(24)11-14(15)4-5-22(16)6-7-23/h9-12,16,23-25H,4-8H2,1-3H3
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2.75E+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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82501
PNG
(TMQ, Cyclic sulfite)
Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc2OS(=O)Oc12
Show InChI InChI=1S/C17H17NO6S/c1-22-15-5-9(6-16-17(15)24-25(21)23-16)4-12-11-8-14(20)13(19)7-10(11)2-3-18-12/h5-8,12,18-20H,2-4H2,1H3
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3.47E+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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82499
PNG
(TMQ, N-amino-benzyl)
Show SMILES COc1cc(CC2N(Cc3cccc(N)c3)CCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C26H30N2O5/c1-31-24-11-17(12-25(32-2)26(24)33-3)10-21-20-14-23(30)22(29)13-18(20)7-8-28(21)15-16-5-4-6-19(27)9-16/h4-6,9,11-14,21,29-30H,7-8,10,15,27H2,1-3H3
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3.72E+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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82483
PNG
(TMQ, R-(+))
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-/m1/s1
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9.33E+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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82489
PNG
(TMQ, Amidine)
Show SMILES COc1cc(CC2=NCCc3cc(O)c(O)cc23)cc(OC)c1OC
Show InChI InChI=1S/C19H21NO5/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/h7-10,21-22H,4-6H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM82483
PNG
(TMQ, R-(+))
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-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Ohio State University

Curated by PDSP Ki Database




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


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
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