BDBM50438805 CHEMBL2413519

SMILES: CCN(CC)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1

InChI Key: InChIKey=NZGWWLVLKZCABD-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 = 50438805   

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 1 (Homo sapiens (Human))	BDBM50438805 (CHEMBL2413519) Show SMILES CCN(CC)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 Show InChI InChI=1S/C20H22N2O2/c1-4-22(5-2)16-12-10-15(11-13-16)21-20(23)19-14(3)17-8-6-7-9-18(17)24-19/h6-13H,4-5H2,1-3H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 1 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50438805 (CHEMBL2413519) Show SMILES CCN(CC)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 Show InChI InChI=1S/C20H22N2O2/c1-4-22(5-2)16-12-10-15(11-13-16)21-20(23)19-14(3)17-8-6-7-9-18(17)24-19/h6-13H,4-5H2,1-3H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 2 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair