BDBM50258741 (5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quinazolin-2-yl)-1,4-diazepan-1-yl)methanone::CHEMBL469146

SMILES: Cc1ccc(c(c1)C(=O)N1CCCN(CC1)c1ncc2ccccc2n1)-n1nccn1

InChI Key: InChIKey=AHMDYOOHWSZVAL-UHFFFAOYSA-N

Data: 9 KI  6 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 15 hits for monomerid = 50258741   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orexin/Hypocretin receptor type 1 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Human)	BDBM50258741 ((5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quin...) Show SMILES Show InChI	GoogleScholar	UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair