Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 307.3 BDBM86556Purchase

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

Found 3 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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86556 (Azanium analog, 28) Show SMILES C([NH2+]Cc1cccc2cccnc12)[C@@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C19H18N2O2/c1-2-9-18-17(8-1)22-13-16(23-18)12-20-11-15-6-3-5-14-7-4-10-21-19(14)15/h1-10,16,20H,11-13H2/p+1/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	300	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86556 (Azanium analog, 28) Show SMILES C([NH2+]Cc1cccc2cccnc12)[C@@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C19H18N2O2/c1-2-9-18-17(8-1)22-13-16(23-18)12-20-11-15-6-3-5-14-7-4-10-21-19(14)15/h1-10,16,20H,11-13H2/p+1/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	900	-34.2	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM86556 (Azanium analog, 28) Show SMILES C([NH2+]Cc1cccc2cccnc12)[C@@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C19H18N2O2/c1-2-9-18-17(8-1)22-13-16(23-18)12-20-11-15-6-3-5-14-7-4-10-21-19(14)15/h1-10,16,20H,11-13H2/p+1/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-28.3	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair