BDBM50050093 (4-Chloro-6-methoxy-2-methyl-pyrimidin-5-yl)-imidazolidin-2-ylidene-amine::2-(4-Chloro-6-methoxy-2-methyl-pyrimidin-5-ylamino)-4,5-dihydro-3H-imidazol-1-ium::CHEMBL19236::MOXONIDINE

SMILES: [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

InChI Key: InChIKey=WPNJAUFVNXKLIM-UHFFFAOYSA-N

Data: 8 KI  1 IC50

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 9 hits for monomerid = 50050093   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Imidazoline receptor 1 (I1R) (Homo sapiens (Human))	BDBM50050093 ((4-Chloro-6-methoxy-2-methyl-pyrimidin-5-yl)-imida...) Show SMILES [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.06.051 BindingDB Entry DOI: 10.7270/Q2FX7BCP
					More data for this Ligand-Target Pair
Imidazoline receptor 1 (I1R) (Homo sapiens (Human))	BDBM50050093 ((4-Chloro-6-methoxy-2-methyl-pyrimidin-5-yl)-imida...) Show SMILES [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-clonidine from bovine imidazoline receptor I-1				J Med Chem 39: 1193-5 (1996) Article DOI: 10.1021/jm960012o BindingDB Entry DOI: 10.7270/Q2NZ889J
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (Homo sapiens (Human))	BDBM50050093 ((4-Chloro-6-methoxy-2-methyl-pyrimidin-5-yl)-imida...) Show SMILES [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2 adrenoceptor expressed in CHO cell membranes after 60 mins				J Med Chem 58: 878-87 (2015) Article DOI: 10.1021/jm501456p BindingDB Entry DOI: 10.7270/Q2R21333
					More data for this Ligand-Target Pair
Imidazoline I1 (RAT)	BDBM50050093 ((4-Chloro-6-methoxy-2-methyl-pyrimidin-5-yl)-imida...) Show SMILES [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting				J Med Chem 58: 878-87 (2015) Article DOI: 10.1021/jm501456p BindingDB Entry DOI: 10.7270/Q2R21333
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50050093 ((4-Chloro-6-methoxy-2-methyl-pyrimidin-5-yl)-imida...) Show SMILES [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for human Alpha-2A adrenergic receptor				J Med Chem 39: 1193-5 (1996) Article DOI: 10.1021/jm960012o BindingDB Entry DOI: 10.7270/Q2NZ889J
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (NEONATAL RAT)	BDBM50050093 ((4-Chloro-6-methoxy-2-methyl-pyrimidin-5-yl)-imida...) Show SMILES [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for rat Alpha-2B adrenergic receptor				J Med Chem 39: 1193-5 (1996) Article DOI: 10.1021/jm960012o BindingDB Entry DOI: 10.7270/Q2NZ889J
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50050093 ((4-Chloro-6-methoxy-2-methyl-pyrimidin-5-yl)-imida...) Show SMILES [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for human Alpha-2C adrenergic receptor				J Med Chem 39: 1193-5 (1996) Article DOI: 10.1021/jm960012o BindingDB Entry DOI: 10.7270/Q2NZ889J
					More data for this Ligand-Target Pair
Imidazoline I1 (RAT)	BDBM50050093 ((4-Chloro-6-methoxy-2-methyl-pyrimidin-5-yl)-imida...) Show SMILES [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 170-7 (1998) BindingDB Entry DOI: 10.7270/Q27H1H4B
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50050093 ((4-Chloro-6-methoxy-2-methyl-pyrimidin-5-yl)-imida...) Show SMILES [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080
					More data for this Ligand-Target Pair