BDBM113058 US8633208, 1

SMILES: c1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccccc1

InChI Key: InChIKey=CSZGXYBGYFNSCO-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 113058   

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
Alpha-2A adrenergic receptor (Homo sapiens)	BDBM113058 (US8633208, 1) Show SMILES c1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccccc1 Show InChI InChI=1S/C17H12N4/c1-2-4-13(5-3-1)17-19-11-14-10-15(6-7-16(14)20-17)21-9-8-18-12-21/h1-12H	MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.24E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM113058 (US8633208, 1) Show SMILES c1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccccc1 Show InChI InChI=1S/C17H12N4/c1-2-4-13(5-3-1)17-19-11-14-10-15(6-7-16(14)20-17)21-9-8-18-12-21/h1-12H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Rottapharm S.p.A US Patent					Assay Description Inhibitory activity of compounds was evaluated by a homogeneous luminescent method, the MAO-Glo Assay (Promega), measuring the monoamine oxidase acti...				US Patent US8633208 (2014) BindingDB Entry DOI: 10.7270/Q23J3BMD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM113058 (US8633208, 1) Show SMILES c1cn(cn1)-c1ccc2nc(ncc2c1)-c1ccccc1 Show InChI InChI=1S/C17H12N4/c1-2-4-13(5-3-1)17-19-11-14-10-15(6-7-16(14)20-17)21-9-8-18-12-21/h1-12H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rottapharm S.p.A US Patent					Assay Description Inhibitory activity of compounds was evaluated by a homogeneous luminescent method, the MAO-Glo Assay (Promega), measuring the monoamine oxidase acti...				US Patent US8633208 (2014) BindingDB Entry DOI: 10.7270/Q23J3BMD
					More data for this Ligand-Target Pair