BDBM50120887 CHEMBL3622322

SMILES: C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1C

InChI Key: InChIKey=BAZNCIHVTQDHPY-MRXNPFEDSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50120887   

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))	BDBM50120887 (CHEMBL3622322) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1C |r| Show InChI InChI=1S/C21H25N7O/c1-15-14-22-17(3)25-20(15)26-11-8-16(2)27(13-12-26)21(29)18-6-4-5-7-19(18)28-23-9-10-24-28/h4-7,9-10,14,16H,8,11-13H2,1-3H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.60E+3	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 human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay				Bioorg Med Chem Lett 25: 4992-9 (2015) BindingDB Entry DOI: 10.7270/Q2N58P5S
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50120887 (CHEMBL3622322) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1C |r| Show InChI InChI=1S/C21H25N7O/c1-15-14-22-17(3)25-20(15)26-11-8-16(2)27(13-12-26)21(29)18-6-4-5-7-19(18)28-23-9-10-24-28/h4-7,9-10,14,16H,8,11-13H2,1-3H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...				Bioorg Med Chem Lett 25: 4992-9 (2015) BindingDB Entry DOI: 10.7270/Q2N58P5S
					More data for this Ligand-Target Pair