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BDBM81979 CAS_5051-62-7::CAS_65636::Fluprofylline::Guanabenz::NSC_3517::NSC_65636

SMILES: [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl

InChI Key: InChIKey=WDZVGELJXXEGPV-UHFFFAOYSA-N

Data: 10 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 81979   
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
adrenergic Alpha2


(RAT)
BDBM81979
PNG
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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5.80n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 241: 1092-8 (1987)


BindingDB Entry DOI: 10.7270/Q2F18X7B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81979
PNG
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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21.9n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM81979
PNG
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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28.2n/an/an/an/an/an/an/an/a



The Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 8784-8 (1986)


Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM81979
PNG
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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36.7n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 241: 1092-8 (1987)


BindingDB Entry DOI: 10.7270/Q2F18X7B
More data for this
Ligand-Target Pair
adrenergic Alpha2


(PIG)
BDBM81979
PNG
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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57.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Pharmacol Exp Ther 294: 539-47 (2000)


BindingDB Entry DOI: 10.7270/Q2TM78NR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM81979
PNG
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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200n/an/an/an/an/an/an/an/a



The Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 8784-8 (1986)


Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM81979
PNG
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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282n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM81979
PNG
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
PDB

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447n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM81979
PNG
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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4.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




J Pharm Pharmacol 38: 374-9 (1986)


Article DOI: 10.1111/j.2042-7158.1986.tb04590.x
BindingDB Entry DOI: 10.7270/Q2JS9NXW
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM81979
PNG
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



The Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 8784-8 (1986)


Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD
More data for this
Ligand-Target Pair