BDBM256955 US9493432, 81

SMILES: CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1cc(F)ccc1-n1nccn1

InChI Key: InChIKey=AWDZNHIULYTTNC-LPHOPBHVSA-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 = 256955   

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))	BDBM256955 (US9493432, 81) Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1cc(F)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H20F2N6OS/c1-29(21(31)15-11-13(23)6-8-18(15)30-25-9-10-26-30)19-4-2-3-16(19)27-22-28-17-7-5-14(24)12-20(17)32-22/h5-12,16,19H,2-4H2,1H3,(H,27,28)/t16-,19-/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	840	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))	BDBM256955 (US9493432, 81) Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1cc(F)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H20F2N6OS/c1-29(21(31)15-11-13(23)6-8-18(15)30-25-9-10-26-30)19-4-2-3-16(19)27-22-28-17-7-5-14(24)12-20(17)32-22/h5-12,16,19H,2-4H2,1H3,(H,27,28)/t16-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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