BDBM50318701 CHEMBL1083659::MK-4305::[(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone

SMILES: Cc1ccc(c(c1)C(=O)N2CCN(CC[C@H]2C)c3nc4cc(ccc4o3)Cl)n5nccn5

InChI Key: InChIKey=JYTNQNCOQXFQPK-UHFFFAOYSA-N

Data: 13 KI  9 IC50

PDB links: 4 PDB IDs match this monomer.

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 24 hits for monomerid = 50318701   

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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	199	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	138	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	199	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	138	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	56	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	56	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.400	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	50	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	56	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		0.350	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		0.398	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		0.400	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		0.400	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		0.550	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		0.550	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) 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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) 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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		0.794	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 (Mouse)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		1.70	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		3.10	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 (Mouse)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		8.70	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)	BDBM50318701 ([(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,...) Show SMILES Show InChI	GoogleScholar	UniChem		12	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