BDBM50052880 CHEMBL49137::Imidazolidin-2-ylidene-(5-methyl-quinoxalin-6-yl)-amine

SMILES: [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1

InChI Key: InChIKey=QZUXRMOPAGPTIY-UHFFFAOYSA-N

Data: 14 KI  4 EC50

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 18 hits for monomerid = 50052880   

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
Adrenergic receptor alpha-2 (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6F1V
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1270C
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for binding affinity against Alpha-2A adrenergic receptor from cloned human C-10 receptor transfected into Chinese hamst...				J Med Chem 39: 3533-8 (1996) Article DOI: 10.1021/jm960359r BindingDB Entry DOI: 10.7270/Q2PC31GF
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2	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 rauwolscine from human Alpha-2A adrenergic receptor expressed in CHO cells				J Med Chem 40: 18-23 (1997) Article DOI: 10.1021/jm9605142 BindingDB Entry DOI: 10.7270/Q2RV0MST
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity for human Alpha-2A adrenergic receptor from cultured LM(tk-) cells using [3H]rauwolscine				Citation and Details BindingDB Entry DOI: 10.7270/Q2DV1N3J
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity for human Alpha-2B adrenergic receptor from cultured LM(tk-) cells using [3H]- prazosin				Citation and Details BindingDB Entry DOI: 10.7270/Q2DV1N3J
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (NEONATAL RAT)	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for binding affinity against Alpha-2B adrenergic receptor from cloned rat RNG receptor transfected into Chinese hamster ...				J Med Chem 39: 3533-8 (1996) Article DOI: 10.1021/jm960359r BindingDB Entry DOI: 10.7270/Q2PC31GF
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (NEONATAL RAT)	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	17	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 rauwolscine from rat Alpha-2B adrenergic receptor expressed in CHO cells				J Med Chem 40: 18-23 (1997) Article DOI: 10.1021/jm9605142 BindingDB Entry DOI: 10.7270/Q2RV0MST
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Allergan Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for binding affinity against Alpha-2C adrenergic receptor from cloned human C-2 receptor transfected into Chinese hamste...				J Med Chem 39: 3533-8 (1996) Article DOI: 10.1021/jm960359r BindingDB Entry DOI: 10.7270/Q2PC31GF
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	27	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 rauwolscine from human Alpha-2C adrenergic receptor expressed in CHO cells				J Med Chem 40: 18-23 (1997) Article DOI: 10.1021/jm9605142 BindingDB Entry DOI: 10.7270/Q2RV0MST
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity for human Alpha-2C adrenergic receptor from cultured LM(tk-) cells using [3H]- prazosin				Citation and Details BindingDB Entry DOI: 10.7270/Q2DV1N3J
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-1 (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards Alpha-1 adrenergic receptor in human brain				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1270C
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-1 (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity for Alpha-1 adrenergic receptor of human cerebral cortex membrane				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6F1V
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity for human Alpha-1B adrenergic receptor from cultured LM(tk-) cells using [3H]prazosin				Citation and Details BindingDB Entry DOI: 10.7270/Q2DV1N3J
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
TBA					Assay Description Alpha-2A adrenergic receptor agonistic potency as inhibition of forskolin-stimulated synthesis of cyclic adenosine monophosphate				Citation and Details BindingDB Entry DOI: 10.7270/Q2DV1N3J
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6F1V
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	n/a	n/a	78	n/a	n/a	n/a	n/a
TBA					Assay Description Alpha-2B adrenergic receptor agonistic potency as inhibition of forskolin-stimulated cyclic adenosine monophosphate synthesis				Citation and Details BindingDB Entry DOI: 10.7270/Q2DV1N3J
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50052880 (CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...) Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
TBA					Assay Description Alpha-2C adrenergic receptor agonistic potency as inhibition of forskolin-stimulated cyclic adenosine monophosphate synthesis				Citation and Details BindingDB Entry DOI: 10.7270/Q2DV1N3J
					More data for this Ligand-Target Pair