BDBM256954 US9493432, 80

SMILES: CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1ccccc1-n1nccn1

InChI Key: InChIKey=PGYQLCUKNOYWCZ-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 = 256954   

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))	BDBM256954 (US9493432, 80) Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C22H21FN6OS/c1-28(21(30)15-5-2-3-7-18(15)29-24-11-12-25-29)19-8-4-6-16(19)26-22-27-17-10-9-14(23)13-20(17)31-22/h2-3,5,7,9-13,16,19H,4,6,8H2,1H3,(H,26,27)/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	650	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))	BDBM256954 (US9493432, 80) Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C22H21FN6OS/c1-28(21(30)15-5-2-3-7-18(15)29-24-11-12-25-29)19-8-4-6-16(19)26-22-27-17-10-9-14(23)13-20(17)31-22/h2-3,5,7,9-13,16,19H,4,6,8H2,1H3,(H,26,27)/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