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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50081820   
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-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50081820
PNG
(2-(2-Amino-ethoxymethyl)-6-methyl-4-(4-nitro-pheny...)
Show SMILES CC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)c1ccccc1 |c:8,t:1|
Show InChI InChI=1S/C31H40N6O5/c1-21-27(30(33)38)28(24-8-10-25(11-9-24)37(40)41)29(26(35-21)20-42-19-14-32)31(39)34-15-5-16-36-17-12-23(13-18-36)22-6-3-2-4-7-22/h2-4,6-11,23,27-28H,5,12-20,32H2,1H3,(H2,33,38)(H,34,39)
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1.40n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor


Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50081820
PNG
(2-(2-Amino-ethoxymethyl)-6-methyl-4-(4-nitro-pheny...)
Show SMILES CC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)c1ccccc1 |c:8,t:1|
Show InChI InChI=1S/C31H40N6O5/c1-21-27(30(33)38)28(24-8-10-25(11-9-24)37(40)41)29(26(35-21)20-42-19-14-32)31(39)34-15-5-16-36-17-12-23(13-18-36)22-6-3-2-4-7-22/h2-4,6-11,23,27-28H,5,12-20,32H2,1H3,(H2,33,38)(H,34,39)
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18n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor


Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50081820
PNG
(2-(2-Amino-ethoxymethyl)-6-methyl-4-(4-nitro-pheny...)
Show SMILES CC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)c1ccccc1 |c:8,t:1|
Show InChI InChI=1S/C31H40N6O5/c1-21-27(30(33)38)28(24-8-10-25(11-9-24)37(40)41)29(26(35-21)20-42-19-14-32)31(39)34-15-5-16-36-17-12-23(13-18-36)22-6-3-2-4-7-22/h2-4,6-11,23,27-28H,5,12-20,32H2,1H3,(H2,33,38)(H,34,39)
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PubMed
166n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor


Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair