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Compile Data Set for Download or QSAR

Found 239 hits with Last Name = 'debernardis' and Initial = 'jf'   
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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226801
PNG
(CHEMBL7707)
Show SMILES Oc1ccc2[C@@H](CCCc2c1O)C1=NCCN1
Show InChI InChI=1S/C13H16N2O2/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13/h4-5,10,16-17H,1-3,6-7H2,(H,14,15)/t10-/m1/s1
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0.550n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.


J Med Chem 30: 1011-7 (1987)


Article DOI: 10.1021/jm00389a009
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50043659
PNG
(4-Fluoro-N-[2-(5-methoxy-1,3,4,4a,9,9a-hexahydro-i...)
Show SMILES COc1cccc2CC3CN(CCNC(=O)c4ccc(F)cc4)CCC3c12
Show InChI InChI=1S/C22H25FN2O2/c1-27-20-4-2-3-16-13-17-14-25(11-9-19(17)21(16)20)12-10-24-22(26)15-5-7-18(23)8-6-15/h2-8,17,19H,9-14H2,1H3,(H,24,26)
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0.590n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003154
PNG
(2-{Propyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncccc1C(O)=O
Show InChI InChI=1S/C23H22N6O2/c1-2-14-29(22-20(23(30)31)8-5-13-24-22)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-13H,2,14-15H2,1H3,(H,30,31)(H,25,26,27,28)
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0.760n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50043660
PNG
(2-[3-(5-Methoxy-1,3,4,4a,9,9a-hexahydro-indeno[2,1...)
Show SMILES COc1cccc2CC3CN(CCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
Show InChI InChI=1S/C23H26N2O4S/c1-29-20-8-4-6-16-14-17-15-24(13-10-18(17)22(16)20)11-5-12-25-23(26)19-7-2-3-9-21(19)30(25,27)28/h2-4,6-9,17-18H,5,10-15H2,1H3
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0.890n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453309
PNG
(CHEMBL2079598)
Show SMILES COc1cccc2C[C@@H]3CN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C26H36N2O3/c1-31-22-8-6-7-19-15-20-18-27(14-9-21(20)25(19)22)12-4-5-13-28-23(29)16-26(17-24(28)30)10-2-3-11-26/h6-8,20-21H,2-5,9-18H2,1H3/t20-,21-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50043661
PNG
(2-[4-(5-Methoxy-1,3,4,4a,9,9a-hexahydro-indeno[2,1...)
Show SMILES COc1cccc2CC3CN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
Show InChI InChI=1S/C24H28N2O4S/c1-30-21-9-6-7-17-15-18-16-25(14-11-19(18)23(17)21)12-4-5-13-26-24(27)20-8-2-3-10-22(20)31(26,28)29/h2-3,6-10,18-19H,4-5,11-16H2,1H3
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003158
PNG
(2-Methyl-4-{propyl-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-3-12-30(22-20(23(31)32)13-24-15(2)25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13H,3,12,14H2,1-2H3,(H,31,32)(H,26,27,28,29)
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226153
PNG
(CHEMBL545092)
Show SMILES Br.Oc1ccc2C(CCc2c1O)C1=NCCN1
Show InChI InChI=1S/C12H14N2O2.BrH/c15-10-4-3-7-8(11(10)16)1-2-9(7)12-13-5-6-14-12;/h3-4,9,15-16H,1-2,5-6H2,(H,13,14);1H
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3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex


J Med Chem 29: 463-7 (1986)


Article DOI: 10.1021/jm00154a006
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003155
PNG
(4-{Butyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
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3.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50368853
PNG
(CHEMBL1743629)
Show SMILES COc1cccc2CC3CN(CCCCN4C(=O)C5C(C6C=CC5C5C=CC65)C4=O)CCC3c12
Show InChI InChI=1S/C29H34N2O3/c1-34-24-6-4-5-17-15-18-16-30(14-11-19(18)25(17)24)12-2-3-13-31-28(32)26-22-9-10-23(27(26)29(31)33)21-8-7-20(21)22/h4-10,18-23,26-27H,2-3,11-16H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226155
PNG
(CHEMBL543684)
Show SMILES Br.Oc1ccc2C(CCCc2c1O)C1=NCCN1
Show InChI InChI=1S/C13H16N2O2.BrH/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13;/h4-5,10,16-17H,1-3,6-7H2,(H,14,15);1H
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6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex


J Med Chem 29: 463-7 (1986)


Article DOI: 10.1021/jm00154a006
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226802
PNG
(CHEMBL7186)
Show SMILES Oc1ccc2C(CCCc2c1O)C1=NCCN1
Show InChI InChI=1S/C13H16N2O2/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13/h4-5,10,16-17H,1-3,6-7H2,(H,14,15)
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6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.


J Med Chem 30: 1011-7 (1987)


Article DOI: 10.1021/jm00389a009
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225327
PNG
(CHEMBL31062)
Show SMILES CNCC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C11H15NO2/c1-12-6-7-2-3-9-8(7)4-5-10(13)11(9)14/h4-5,7,12-14H,2-3,6H2,1H3
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50225327
PNG
(CHEMBL31062)
Show SMILES CNCC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C11H15NO2/c1-12-6-7-2-3-9-8(7)4-5-10(13)11(9)14/h4-5,7,12-14H,2-3,6H2,1H3
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50225302
PNG
(CHEMBL433083)
Show SMILES CN(C)CC1OCc2c1ccc(O)c2O
Show InChI InChI=1S/C11H15NO3/c1-12(2)5-10-7-3-4-9(13)11(14)8(7)6-15-10/h3-4,10,13-14H,5-6H2,1-2H3
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225343
PNG
(CHEMBL31195)
Show SMILES NCC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C10H13NO2/c11-5-6-1-2-8-7(6)3-4-9(12)10(8)13/h3-4,6,12-13H,1-2,5,11H2
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003156
PNG
(4-{Butyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ncc1C(O)=O
Show InChI InChI=1S/C24H25N7O2/c1-3-4-13-31(23-21(24(32)33)14-25-16(2)26-23)15-17-9-11-18(12-10-17)19-7-5-6-8-20(19)22-27-29-30-28-22/h5-12,14H,3-4,13,15H2,1-2H3,(H,32,33)(H,27,28,29,30)
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50225343
PNG
(CHEMBL31195)
Show SMILES NCC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C10H13NO2/c11-5-6-1-2-8-7(6)3-4-9(12)10(8)13/h3-4,6,12-13H,1-2,5,11H2
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Angiotensin II AT1B


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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50225303
PNG
(CHEMBL52069)
Show SMILES CNCC1OCc2c1ccc(O)c2O
Show InChI InChI=1S/C10H13NO3/c1-11-4-9-6-2-3-8(12)10(13)7(6)5-14-9/h2-3,9,11-13H,4-5H2,1H3
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225326
PNG
(CHEMBL31690)
Show SMILES CN(C)CC1Cc2c1ccc(O)c2O
Show InChI InChI=1S/C11H15NO2/c1-12(2)6-7-5-9-8(7)3-4-10(13)11(9)14/h3-4,7,13-14H,5-6H2,1-2H3
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21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50225334
PNG
(CHEMBL281064)
Show SMILES CN(C)CC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C12H17NO2/c1-13(2)7-8-3-4-10-9(8)5-6-11(14)12(10)15/h5-6,8,14-15H,3-4,7H2,1-2H3
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225334
PNG
(CHEMBL281064)
Show SMILES CN(C)CC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C12H17NO2/c1-13(2)7-8-3-4-10-9(8)5-6-11(14)12(10)15/h5-6,8,14-15H,3-4,7H2,1-2H3
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019729
PNG
((S)-5-(4,5-Dihydro-1H-imidazol-2-yl)-5,6,7,8-tetra...)
Show SMILES Oc1ccc2[C@H](CCCc2c1O)C1=NCCN1
Show InChI InChI=1S/C13H16N2O2/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13/h4-5,10,16-17H,1-3,6-7H2,(H,14,15)/t10-/m0/s1
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.


J Med Chem 30: 1011-7 (1987)


Article DOI: 10.1021/jm00389a009
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM34572
PNG
(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225285
PNG
(CHEBI:3757 | CLONIDINE | Catapres | Catapres-Tts-1...)
Show SMILES Clc1cccc(Cl)c1NC1=NCCN1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.


J Med Chem 30: 1011-7 (1987)


Article DOI: 10.1021/jm00389a009
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225285
PNG
(CHEBI:3757 | CLONIDINE | Catapres | Catapres-Tts-1...)
Show SMILES Clc1cccc(Cl)c1NC1=NCCN1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
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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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225342
PNG
(CHEMBL288787)
Show SMILES NC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C7H9NO3/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3,7,9-11H,8H2
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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
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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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex


J Med Chem 29: 463-7 (1986)


Article DOI: 10.1021/jm00154a006
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
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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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.


J Med Chem 30: 1011-7 (1987)


Article DOI: 10.1021/jm00389a009
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225347
PNG
(CHEMBL31258)
Show SMILES CNCC1CCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C12H17NO2/c1-13-7-8-3-2-4-10-9(8)5-6-11(14)12(10)15/h5-6,8,13-15H,2-4,7H2,1H3
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44n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226156
PNG
(CHEMBL544627)
Show SMILES Br.Oc1ccc2C(Cc2c1O)C1=NCCN1
Show InChI InChI=1S/C11H12N2O2.BrH/c14-9-2-1-6-7(10(9)15)5-8(6)11-12-3-4-13-11;/h1-2,8,14-15H,3-5H2,(H,12,13);1H
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46n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex


J Med Chem 29: 463-7 (1986)


Article DOI: 10.1021/jm00154a006
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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46n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225335
PNG
(CHEMBL281283)
Show SMILES NCC1CCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C11H15NO2/c12-6-7-2-1-3-9-8(7)4-5-10(13)11(9)14/h4-5,7,13-14H,1-3,6,12H2
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47n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453311
PNG
(CHEMBL2079596)
Show SMILES COc1cccc2C[C@@H]3CN(CCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C25H34N2O3/c1-30-21-7-4-6-18-14-19-17-26(13-8-20(19)24(18)21)11-5-12-27-22(28)15-25(16-23(27)29)9-2-3-10-25/h4,6-7,19-20H,2-3,5,8-17H2,1H3/t19-,20-/m1/s1
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51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453308
PNG
(CHEMBL2079545)
Show SMILES COc1cccc2C[C@H]3CN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CC[C@H]3c12
Show InChI InChI=1S/C26H36N2O3/c1-31-22-8-6-7-19-15-20-18-27(14-9-21(20)25(19)22)12-4-5-13-28-23(29)16-26(17-24(28)30)10-2-3-11-26/h6-8,20-21H,2-5,9-18H2,1H3/t20-,21+/m0/s1
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55n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453307
PNG
(CHEMBL2079544)
Show SMILES CCCN1CC[C@@H]2[C@H](Cc3cccc(OC)c23)C1
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-14-13(11-17)10-12-5-4-6-15(18-2)16(12)14/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14-/m1/s1
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76n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50225443
PNG
(CHEMBL299786)
Show SMILES NCC1OCc2c1ccc(O)c2O
Show InChI InChI=1S/C9H11NO3/c10-3-8-5-1-2-7(11)9(12)6(5)4-13-8/h1-2,8,11-12H,3-4,10H2
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77n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003157
PNG
(2-{Butyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethy...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ccc1C(O)=O
Show InChI InChI=1S/C25H26N6O2/c1-3-4-15-31(24-22(25(32)33)14-9-17(2)26-24)16-18-10-12-19(13-11-18)20-7-5-6-8-21(20)23-27-29-30-28-23/h5-14H,3-4,15-16H2,1-2H3,(H,32,33)(H,27,28,29,30)
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122n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against angiotensin II receptor, type 1 in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225350
PNG
(CHEMBL32683)
Show SMILES CCNCC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C12H17NO2/c1-2-13-7-8-3-4-10-9(8)5-6-11(14)12(10)15/h5-6,8,13-15H,2-4,7H2,1H3
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130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225339
PNG
(CHEMBL31789)
Show SMILES NCC1Cc2c1ccc(O)c2O
Show InChI InChI=1S/C9H11NO2/c10-4-5-3-7-6(5)1-2-8(11)9(7)12/h1-2,5,11-12H,3-4,10H2
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170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225345
PNG
(CHEMBL281712)
Show SMILES CCCN(CCC)CC1CCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H27NO2/c1-3-10-18(11-4-2)12-13-6-5-7-15-14(13)8-9-16(19)17(15)20/h8-9,13,19-20H,3-7,10-12H2,1-2H3
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50003152
PNG
(2-Butyl-4-{[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCCCc1ncc(C(O)=O)c(NCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)n1
Show InChI InChI=1S/C23H23N7O2/c1-2-3-8-20-24-14-19(23(31)32)21(26-20)25-13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-27-29-30-28-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,31,32)(H,24,25,26)(H,27,28,29,30)
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198n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against AT1 receptor in rat liver


J Med Chem 35: 3714-7 (1992)


Article DOI: 10.1021/jm00098a018
BindingDB Entry DOI: 10.7270/Q2H41QCN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225351
PNG
(CHEMBL281759)
Show SMILES CCNCC1CCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C13H19NO2/c1-2-14-8-9-4-3-5-11-10(9)6-7-12(15)13(11)16/h6-7,9,14-16H,2-5,8H2,1H3
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225341
PNG
(CHEMBL31458)
Show SMILES NCC1Cc2cc(O)c(O)cc12
Show InChI InChI=1S/C9H11NO2/c10-4-6-1-5-2-8(11)9(12)3-7(5)6/h2-3,6,11-12H,1,4,10H2
UniProtKB/SwissProt

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UniChem

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PubMed
200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225354
PNG
(CHEMBL284484)
Show SMILES CCN(CC)CC1CCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C15H23NO2/c1-3-16(4-2)10-11-6-5-7-13-12(11)8-9-14(17)15(13)18/h8-9,11,17-18H,3-7,10H2,1-2H3
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225352
PNG
(CHEMBL285455)
Show SMILES CCN(CC)CC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C14H21NO2/c1-3-15(4-2)9-10-5-6-12-11(10)7-8-13(16)14(12)17/h7-8,10,16-17H,3-6,9H2,1-2H3
UniProtKB/SwissProt

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320n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
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