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BDBM81984 CAS_29110-47-2::GUANFACINE::Guanfacine::NSC_3519

SMILES: NC(=N)NC(=O)Cc1c(Cl)cccc1Cl

InChI Key: InChIKey=INJOMKTZOLKMBF-UHFFFAOYSA-N

Data: 10 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 81984   
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
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM81984
PNG
(CAS_29110-47-2 | GUANFACINE | Guanfacine | NSC_351...)
Show SMILES NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
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KEGG
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Article
PubMed
19.0n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR


Bioorg Med Chem 16: 7134-40 (2008)

More data for this
Ligand-Target Pair
ADRA2A


(MOUSE)
BDBM81984
PNG
(CAS_29110-47-2 | GUANFACINE | Guanfacine | NSC_351...)
Show SMILES NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
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KEGG
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PubMed
20.4n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)

More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM81984
PNG
(CAS_29110-47-2 | GUANFACINE | Guanfacine | NSC_351...)
Show SMILES NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
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KEGG

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24.9n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81984
PNG
(CAS_29110-47-2 | GUANFACINE | Guanfacine | NSC_351...)
Show SMILES NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
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KEGG
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50.3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 1558-65 (1994)

More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81984
PNG
(CAS_29110-47-2 | GUANFACINE | Guanfacine | NSC_351...)
Show SMILES NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
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KEGG
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PubMed
93.3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)

More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM81984
PNG
(CAS_29110-47-2 | GUANFACINE | Guanfacine | NSC_351...)
Show SMILES NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
Reactome pathway
KEGG

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KEGG
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PubMed
340n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM81984
PNG
(CAS_29110-47-2 | GUANFACINE | Guanfacine | NSC_351...)
Show SMILES NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
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KEGG
PC cid
PC sid
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PubMed
1.02E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 1558-65 (1994)

More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM81984
PNG
(CAS_29110-47-2 | GUANFACINE | Guanfacine | NSC_351...)
Show SMILES NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
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PubMed
1.12E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 1558-65 (1994)

More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM81984
PNG
(CAS_29110-47-2 | GUANFACINE | Guanfacine | NSC_351...)
Show SMILES NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
UniProtKB/SwissProt

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KEGG
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Patents

PubMed
1.38E+3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)

More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM81984
PNG
(CAS_29110-47-2 | GUANFACINE | Guanfacine | NSC_351...)
Show SMILES NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
UniProtKB/SwissProt
UniProtKB/TrEMBL

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KEGG
PC cid
PC sid
UniChem

Patents

PubMed
3.89E+3n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)

More data for this
Ligand-Target Pair