BDBM50258773 2-(4-(5-methyl-2-(2H-1,2,3-triazol-2-yl)benzyl)-1,4-diazepan-1-yl)quinazoline::CHEMBL466259

SMILES: Cc1ccc(c(CN2CCCN(CC2)c2ncc3ccccc3n2)c1)-n1nccn1

InChI Key: InChIKey=MBKVGBNMRHFEES-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50258773   

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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50258773 (2-(4-(5-methyl-2-(2H-1,2,3-triazol-2-yl)benzyl)-1,...) Show SMILES Cc1ccc(c(CN2CCCN(CC2)c2ncc3ccccc3n2)c1)-n1nccn1 Show InChI InChI=1S/C23H25N7/c1-18-7-8-22(30-25-9-10-26-30)20(15-18)17-28-11-4-12-29(14-13-28)23-24-16-19-5-2-3-6-21(19)27-23/h2-3,5-10,15-16H,4,11-14,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX2 receptor (unknown origin)				Bioorg Med Chem Lett 19: 2997-3001 (2009) Article DOI: 10.1016/j.bmcl.2009.04.026 BindingDB Entry DOI: 10.7270/Q22J6BR1
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50258773 (2-(4-(5-methyl-2-(2H-1,2,3-triazol-2-yl)benzyl)-1,...) Show SMILES Cc1ccc(c(CN2CCCN(CC2)c2ncc3ccccc3n2)c1)-n1nccn1 Show InChI InChI=1S/C23H25N7/c1-18-7-8-22(30-25-9-10-26-30)20(15-18)17-28-11-4-12-29(14-13-28)23-24-16-19-5-2-3-6-21(19)27-23/h2-3,5-10,15-16H,4,11-14,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to OX1 receptor (unknown origin)				Bioorg Med Chem Lett 19: 2997-3001 (2009) Article DOI: 10.1016/j.bmcl.2009.04.026 BindingDB Entry DOI: 10.7270/Q22J6BR1
					More data for this Ligand-Target Pair