BDBM256982 US9493432, 104

SMILES: Fc1ccc2nc(N[C@H]3CC(F)(F)C[C@H]3NC(=O)c3ccccc3-n3nccn3)sc2c1

InChI Key: InChIKey=QTDPFBMGEYUINW-CVEARBPZSA-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 = 256982   

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))	BDBM256982 (US9493432, 104) Show SMILES Fc1ccc2nc(N[C@H]3CC(F)(F)C[C@H]3NC(=O)c3ccccc3-n3nccn3)sc2c1 |r| Show InChI InChI=1S/C21H17F3N6OS/c22-12-5-6-14-18(9-12)32-20(28-14)29-16-11-21(23,24)10-15(16)27-19(31)13-3-1-2-4-17(13)30-25-7-8-26-30/h1-9,15-16H,10-11H2,(H,27,31)(H,28,29)/t15-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.50E+3	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))	BDBM256982 (US9493432, 104) Show SMILES Fc1ccc2nc(N[C@H]3CC(F)(F)C[C@H]3NC(=O)c3ccccc3-n3nccn3)sc2c1 |r| Show InChI InChI=1S/C21H17F3N6OS/c22-12-5-6-14-18(9-12)32-20(28-14)29-16-11-21(23,24)10-15(16)27-19(31)13-3-1-2-4-17(13)30-25-7-8-26-30/h1-9,15-16H,10-11H2,(H,27,31)(H,28,29)/t15-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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