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Compile Data Set for Download or QSAR

Found 11 hits of ec50 data for polymerid = 6432   
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50470944
PNG
(CHEMBL336161)
Show SMILES [H][C@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1 |t:19|
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m1/s1
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n/an/an/an/a 5.20n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1A adrenergic receptor in rat vas deferens


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
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n/an/an/an/a 5.80n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1A adrenergic receptor in rat vas deferens


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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n/an/an/an/a 288n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1A adrenergic receptor in rat vas deferens


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131411
PNG
(4-(4-Chloro-benzyl)-2-methyl-2H-phthalazin-1-one |...)
Show SMILES Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C16H13ClN2O/c1-19-16(20)14-5-3-2-4-13(14)15(18-19)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3
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n/an/an/an/a 810n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of noradrenaline-stimulated Wistar rat vas deferens contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.003
BindingDB Entry DOI: 10.7270/Q22R3R8N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
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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n/an/an/an/a 1.18E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1A adrenergic receptor in rat vas deferens


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131423
PNG
(4-Benzyl-2-methyl-2H-phthalazin-1-one | 4-benzyl-2...)
Show SMILES Cn1nc(Cc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O/c1-18-16(19)14-10-6-5-9-13(14)15(17-18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
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n/an/an/an/a 1.50E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of noradrenaline-stimulated Wistar rat vas deferens contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.003
BindingDB Entry DOI: 10.7270/Q22R3R8N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50067212
PNG
(CHEBI:8093 | Cyclomydril | Duo-Medihaler | Phenyle...)
Show SMILES CNC[C@H](O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
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n/an/an/an/a 1.66E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1A adrenergic receptor in rat vas deferens


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131414
PNG
(4-(benzo[d][1,3]dioxol-5-ylmethyl)phthalazin-1(2H)...)
Show SMILES O=c1[nH]nc(Cc2ccc3OCOc3c2)c2ccccc12
Show InChI InChI=1S/C16H12N2O3/c19-16-12-4-2-1-3-11(12)13(17-18-16)7-10-5-6-14-15(8-10)21-9-20-14/h1-6,8H,7,9H2,(H,18,19)
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n/an/an/an/a 3.00E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of noradrenaline-stimulated Wistar rat vas deferens contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.003
BindingDB Entry DOI: 10.7270/Q22R3R8N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM56339
PNG
(4-(4-chlorobenzyl)-1(2H)-phthalazinone | 4-(4-chlo...)
Show SMILES Clc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C15H11ClN2O/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(19)18-17-14/h1-8H,9H2,(H,18,19)
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n/an/an/an/a 3.90E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of noradrenaline-stimulated Wistar rat vas deferens contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.003
BindingDB Entry DOI: 10.7270/Q22R3R8N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183665
PNG
(4-(4-chlorobenzyl)-2-allylphthalazin-1(2H)-one | C...)
Show SMILES Clc1ccc(Cc2nn(CC=C)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15ClN2O/c1-2-11-21-18(22)16-6-4-3-5-15(16)17(20-21)12-13-7-9-14(19)10-8-13/h2-10H,1,11-12H2
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n/an/an/an/a 4.40E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of noradrenaline-stimulated Wistar rat vas deferens contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.003
BindingDB Entry DOI: 10.7270/Q22R3R8N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50470943
PNG
(CHEMBL133451)
Show SMILES [H][C@@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1 |t:19|
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1
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n/an/an/an/a 3.09E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1A adrenergic receptor in rat vas deferens


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)