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Compile Data Set for Download or QSAR

Found 8 hits of ec50 data for polymerid = 3629,6432   
Target
(Institution)
LigandTarget
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 adrenergic receptor 1A and 1B


(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
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 320n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Eeffective concentration of the compound was determined in vitro against rat spleen Alpha-1B adrenergic receptor indicates EC50 < 15% at a concentrat...


J Med Chem 45: 4395-7 (2002)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
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PubMed
n/an/an/an/a 8.50E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Eeffective concentration of the compound was determined in vitro against rat spleen Alpha-1B adrenergic receptor indicates EC50 < 15% at a concentrat...


J Med Chem 45: 4395-7 (2002)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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PubMed
n/an/an/an/a 2.80E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Eeffective concentration of the compound was determined in vitro against rat spleen Alpha-1B adrenergic receptor indicates EC50 < 15% at a concentrat...


J Med Chem 45: 4395-7 (2002)

More data for this
Ligand-Target Pair