Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 360.4 BDBM50196114

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50196114 (CHEMBL440594 | N-(2,3-dimethylquinolin-4-yl)-N'-(2...) Show SMILES Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C Show InChI InChI=1S/C23H28N4/c1-17-18(2)25-22-8-4-3-7-21(22)23(17)26-20-11-9-19(10-12-20)24-13-16-27-14-5-6-15-27/h3-4,7-12,24H,5-6,13-16H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Timisoara of the Romanian Academy Curated by ChEMBL					Assay Description Binding affinity to human cloned Alpha-2C adrenergic receptor				Eur J Med Chem 46: 877-84 (2011) Article DOI: 10.1016/j.ejmech.2010.12.026 BindingDB Entry DOI: 10.7270/Q2474C44
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50196114 (CHEMBL440594 | N-(2,3-dimethylquinolin-4-yl)-N'-(2...) Show SMILES Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C Show InChI InChI=1S/C23H28N4/c1-17-18(2)25-22-8-4-3-7-21(22)23(17)26-20-11-9-19(10-12-20)24-13-16-27-14-5-6-15-27/h3-4,7-12,24H,5-6,13-16H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Juvantia Pharma Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells				J Med Chem 49: 6351-63 (2006) Article DOI: 10.1021/jm060262x BindingDB Entry DOI: 10.7270/Q2RB747B
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50196114 (CHEMBL440594 | N-(2,3-dimethylquinolin-4-yl)-N'-(2...) Show SMILES Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C Show InChI InChI=1S/C23H28N4/c1-17-18(2)25-22-8-4-3-7-21(22)23(17)26-20-11-9-19(10-12-20)24-13-16-27-14-5-6-15-27/h3-4,7-12,24H,5-6,13-16H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Juvantia Pharma Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells				J Med Chem 49: 6351-63 (2006) Article DOI: 10.1021/jm060262x BindingDB Entry DOI: 10.7270/Q2RB747B
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50196114 (CHEMBL440594 | N-(2,3-dimethylquinolin-4-yl)-N'-(2...) Show SMILES Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C Show InChI InChI=1S/C23H28N4/c1-17-18(2)25-22-8-4-3-7-21(22)23(17)26-20-11-9-19(10-12-20)24-13-16-27-14-5-6-15-27/h3-4,7-12,24H,5-6,13-16H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Juvantia Pharma Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells				J Med Chem 49: 6351-63 (2006) Article DOI: 10.1021/jm060262x BindingDB Entry DOI: 10.7270/Q2RB747B
					More data for this Ligand-Target Pair