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PubMed code 19788200

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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PubMed
n/an/a 0.190n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha1B receptor in Wistar rat liver membrane after 60 mins


J Med Chem 52: 7397-409 (2009)


Article DOI: 10.1021/jm900458r
BindingDB Entry DOI: 10.7270/Q2MG7PJ4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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n/an/a 0.254n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha1A receptor in Wistar rat submaxillary gland after 60 mins


J Med Chem 52: 7397-409 (2009)


Article DOI: 10.1021/jm900458r
BindingDB Entry DOI: 10.7270/Q2MG7PJ4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50203564
PNG
((1R,2S,4aR,13bS,14aS)-2-hydroxy-1,2,3,4,4a,5,7,8,1...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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n/an/a 3.67n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]MK9112 from human recombinant adrenergic alpha2A receptor expressed in insect Sf9 cells after 60 mins


J Med Chem 52: 7397-409 (2009)


Article DOI: 10.1021/jm900458r
BindingDB Entry DOI: 10.7270/Q2MG7PJ4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50203564
PNG
((1R,2S,4aR,13bS,14aS)-2-hydroxy-1,2,3,4,4a,5,7,8,1...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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n/an/a 27.1n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of radioligand from human adrenergic alpha2C receptor after 60 mins


J Med Chem 52: 7397-409 (2009)


Article DOI: 10.1021/jm900458r
BindingDB Entry DOI: 10.7270/Q2MG7PJ4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50299208
PNG
(4-amino-6-methyl-2-(3-(4-p-tolylpiperazin-1-yl)pro...)
Show SMILES Cc1ccc(cc1)N1CCN(CCCn2nc(C)c(C=C)c(N)c2=O)CC1
Show InChI InChI=1S/C21H29N5O/c1-4-19-17(3)23-26(21(27)20(19)22)11-5-10-24-12-14-25(15-13-24)18-8-6-16(2)7-9-18/h4,6-9H,1,5,10-15,22H2,2-3H3
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n/an/a 56n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha1A receptor in Wistar rat submaxillary gland after 60 mins


J Med Chem 52: 7397-409 (2009)


Article DOI: 10.1021/jm900458r
BindingDB Entry DOI: 10.7270/Q2MG7PJ4
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))
BDBM50299208
PNG
(4-amino-6-methyl-2-(3-(4-p-tolylpiperazin-1-yl)pro...)
Show SMILES Cc1ccc(cc1)N1CCN(CCCn2nc(C)c(C=C)c(N)c2=O)CC1
Show InChI InChI=1S/C21H29N5O/c1-4-19-17(3)23-26(21(27)20(19)22)11-5-10-24-12-14-25(15-13-24)18-8-6-16(2)7-9-18/h4,6-9H,1,5,10-15,22H2,2-3H3
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n/an/a 102n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha1B receptor in Wistar rat liver membrane after 60 mins


J Med Chem 52: 7397-409 (2009)


Article DOI: 10.1021/jm900458r
BindingDB Entry DOI: 10.7270/Q2MG7PJ4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50299208
PNG
(4-amino-6-methyl-2-(3-(4-p-tolylpiperazin-1-yl)pro...)
Show SMILES Cc1ccc(cc1)N1CCN(CCCn2nc(C)c(C=C)c(N)c2=O)CC1
Show InChI InChI=1S/C21H29N5O/c1-4-19-17(3)23-26(21(27)20(19)22)11-5-10-24-12-14-25(15-13-24)18-8-6-16(2)7-9-18/h4,6-9H,1,5,10-15,22H2,2-3H3
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antibodypedia
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n/an/a 320n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]MK9112 from human recombinant adrenergic alpha2A receptor expressed in insect Sf9 cells after 60 mins


J Med Chem 52: 7397-409 (2009)


Article DOI: 10.1021/jm900458r
BindingDB Entry DOI: 10.7270/Q2MG7PJ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%