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25 similar compounds to monomer 25770

Compile data set for download or QSAR
Wt: 211.2
BDBM25392
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Wt: 211.2
BDBM34652
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Wt: 168.2
BDBM36024
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Wt: 195.2
BDBM92679
Wt: 181.2
BDBM97154
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Wt: 303.3
BDBM50131281
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Wt: 253.3
BDBM50213105
Wt: 303.3
BDBM50213106
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Wt: 253.3
BDBM50213107
Wt: 287.3
BDBM50213108
Wt: 253.3
BDBM50213109
Wt: 287.3
BDBM50213112
Wt: 303.3
BDBM50213098
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Wt: 303.3
BDBM50213103
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Wt: 253.3
BDBM50213113
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 196 hits for monomerid = 25392,34652,36024,92679,97154,50131281,50213105,50213106,50213107,50213108,50213109,50213112,50213098,50213103,50213113   
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 and beta-3 adrenergic receptor


(Homo sapiens (Human))
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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46n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


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


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
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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46n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 568-80 (1976)


BindingDB Entry DOI: 10.7270/Q2ZK5F5P
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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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80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards Beta-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


Article DOI: 10.1021/jm00084a006
BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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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80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand


J Med Chem 36: 3077-86 (1993)


Article DOI: 10.1021/jm00073a006
BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM36024
PNG
((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
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100n/an/an/an/an/an/an/an/a



UnWersity of Misscuri

Curated by PDSP Ki Database




J Pharmacol Exp Ther 241: 875-81 (1987)


BindingDB Entry DOI: 10.7270/Q29885JF
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
ADRB2


(BOVINE)
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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110n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards beta-2 receptor of bovine lung


J Med Chem 35: 1009-18 (1992)


Article DOI: 10.1021/jm00084a006
BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
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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110n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-2 adrenergic receptor in bovine lung using [3H]DHA as radioligand


J Med Chem 36: 3077-86 (1993)


Article DOI: 10.1021/jm00073a006
BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
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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136 -9.27n/an/an/an/an/a7.422



Monash University



Assay Description
The displacement of [125I]-(-)iodopindolol binding from the beta2AR was determined using DDT1 MF-2 cell membranes. Nonspecific binding was determined...


J Med Chem 51: 6128-37 (2008)


Article DOI: 10.1021/jm800613s
BindingDB Entry DOI: 10.7270/Q26M3554
More data for this
Ligand-Target Pair
adrenergic Alpha1


(Dog)
BDBM36024
PNG
((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
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213n/an/an/an/an/an/an/an/a



UnWersity of Misscuri

Curated by PDSP Ki Database




J Pharmacol Exp Ther 241: 875-81 (1987)


BindingDB Entry DOI: 10.7270/Q29885JF
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



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
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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224n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




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


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q2PZ57C6
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM36024
PNG
((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
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340n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 19: 69-76 (1976)


BindingDB Entry DOI: 10.7270/Q23B5XNK
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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US Patent
345 -8.19n/an/an/an/an/a7.84



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988)....


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM36024
PNG
((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
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370n/an/an/an/an/an/an/an/a



UnWersity of Misscuri

Curated by PDSP Ki Database




J Pharmacol Exp Ther 241: 875-81 (1987)


BindingDB Entry DOI: 10.7270/Q29885JF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM36024
PNG
((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
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390n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes


J Med Chem 36: 3947-55 (1994)


Article DOI: 10.1021/jm00076a024
BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
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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458n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




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


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q2PZ57C6
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)


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 and beta-3 adrenergic receptor


(Homo sapiens (Human))
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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PubMed
501n/an/an/an/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells


Bioorg Med Chem 20: 933-41 (2012)


Article DOI: 10.1016/j.bmc.2011.11.054
BindingDB Entry DOI: 10.7270/Q2V988J0
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
Adrenergic receptor beta


(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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670n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]-dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 34: 1063-8 (1991)


Article DOI: 10.1021/jm00107a027
BindingDB Entry DOI: 10.7270/Q2765D9R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
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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719n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




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


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q2PZ57C6
More data for this
Ligand-Target Pair
adrenergic Alpha1


(Dog)
BDBM36024
PNG
((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
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901n/an/an/an/an/an/an/an/a



UnWersity of Misscuri

Curated by PDSP Ki Database




J Pharmacol Exp Ther 241: 875-81 (1987)


BindingDB Entry DOI: 10.7270/Q29885JF
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM36024
PNG
((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
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1.25E+3n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 241: 1092-8 (1987)


BindingDB Entry DOI: 10.7270/Q2F18X7B
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
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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1.26E+3n/an/an/an/an/an/an/an/a



Institute of Cell Signaling

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 839-48 (2005)


Article DOI: 10.1124/jpet.105.088914
BindingDB Entry DOI: 10.7270/Q26Q1VT6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM36024
PNG
((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Eur J Pharmacol 55: 323-6 (1979)


BindingDB Entry DOI: 10.7270/Q2KD1WC3
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM36024
PNG
((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
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1.44E+3n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




J Biol Chem 266: 6365-9 (1991)


BindingDB Entry DOI: 10.7270/Q2X928SG
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM36024
PNG
((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
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1.47E+3n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 241: 1092-8 (1987)


BindingDB Entry DOI: 10.7270/Q2F18X7B
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
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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1.51E+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-3 adrenergic receptor


(Homo sapiens (Human))
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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1.57E+3n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




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


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q2PZ57C6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
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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2.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 568-80 (1976)


BindingDB Entry DOI: 10.7270/Q2ZK5F5P
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
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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2.90E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4.4 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
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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US Patent
2.93E+3 -7.01n/an/an/an/an/a7.84



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988)....


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
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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PubMed
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
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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US Patent
3.70E+3 -6.88n/an/an/an/an/a7.84



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988)....


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
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-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)


BindingDB Entry DOI: 10.7270/Q2RN36CJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
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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4.70E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Serotonin (5-HT) 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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6.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 19: 69-76 (1976)


BindingDB Entry DOI: 10.7270/Q23B5XNK
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM36024
PNG
((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
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6.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]WB-4101 from adrenergic alpha 1 receptor of rat cerebral cortical membranes


J Med Chem 36: 3947-55 (1994)


Article DOI: 10.1021/jm00076a024
BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM36024
PNG
((R)-(-)-phenylephrine | PHENYLEPHRINE | Phenylephr...)
Show SMILES C[NH2+]C[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
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6.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 19: 69-76 (1976)


BindingDB Entry DOI: 10.7270/Q23B5XNK
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
PDB
MMDB

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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))
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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US Patent
7.94E+3 -6.46n/an/an/an/an/a7.84



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988)....


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
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
Beta-1 adrenergic receptor


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




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


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q2PZ57C6
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




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


Article DOI: 10.1007/s00210-003-0860-y
BindingDB Entry DOI: 10.7270/Q2PZ57C6
More data for this
Ligand-Target Pair
Serotonin (5-HT) 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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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 19: 69-76 (1976)


BindingDB Entry DOI: 10.7270/Q23B5XNK
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 196 total )  |  Next  |  Last  >>

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 25392,34652,36024,92679,97154,50131281,50213105,50213106,50213107,50213108,50213109,50213112,50213098,50213103,50213113
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM4
JPEG
BDBM36024
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-0.8367.19-8.120.6106.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM4
JPEG
BDBM36024
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-0.7645.25-5.970.560524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36024
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.272.36-4.641.676.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36024
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.173.06-5.231.59524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)