BDBM256947 US9493432, 73

SMILES: Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3ccnn3)sc2c1

InChI Key: InChIKey=YZEAKVBZIRYWRI-HOTGVXAUSA-N

Data: 2 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 = 256947   

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))	BDBM256947 (US9493432, 73) Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3ccnn3)sc2c1 |r| Show InChI InChI=1S/C21H19FN6OS/c22-13-8-9-17-19(12-13)30-21(26-17)25-16-6-3-5-15(16)24-20(29)14-4-1-2-7-18(14)28-11-10-23-27-28/h1-2,4,7-12,15-16H,3,5-6H2,(H,24,29)(H,25,26)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM256947 (US9493432, 73) Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3ccnn3)sc2c1 |r| Show InChI InChI=1S/C21H19FN6OS/c22-13-8-9-17-19(12-13)30-21(26-17)25-16-6-3-5-15(16)24-20(29)14-4-1-2-7-18(14)28-11-10-23-27-28/h1-2,4,7-12,15-16H,3,5-6H2,(H,24,29)(H,25,26)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair