BDBM256917 US9493432, 41

SMILES: COc1ccc(OC)c(c1)C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1

InChI Key: InChIKey=SUXOJLAIDDIKGQ-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 = 256917   

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))	BDBM256917 (US9493432, 41) Show SMILES COc1ccc(OC)c(c1)C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C21H22FN3O3S/c1-27-13-7-9-18(28-2)14(11-13)20(26)23-15-4-3-5-16(15)24-21-25-17-8-6-12(22)10-19(17)29-21/h6-11,15-16H,3-5H2,1-2H3,(H,23,26)(H,24,25)/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	2.10E+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))	BDBM256917 (US9493432, 41) Show SMILES COc1ccc(OC)c(c1)C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C21H22FN3O3S/c1-27-13-7-9-18(28-2)14(11-13)20(26)23-15-4-3-5-16(15)24-21-25-17-8-6-12(22)10-19(17)29-21/h6-11,15-16H,3-5H2,1-2H3,(H,23,26)(H,24,25)/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	16	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