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SMILES: CC1COCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1

InChI Key: InChIKey=PCGUUGMCMFOUCN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 112675   

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))	BDBM112675 (US8623863, 4-9) Show SMILES CC1COCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C23H25FN4O3/c1-16-11-19(7-8-21(16)24)31-15-18-12-27(17(2)13-30-14-18)23(29)20-5-3-4-6-22(20)28-25-9-10-26-28/h3-11,17-18H,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM112675 (US8623863, 4-9) Show SMILES CC1COCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C23H25FN4O3/c1-16-11-19(7-8-21(16)24)31-15-18-12-27(17(2)13-30-14-18)23(29)20-5-3-4-6-22(20)28-25-9-10-26-28/h3-11,17-18H,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...				US Patent US8623863 (2014) BindingDB Entry DOI: 10.7270/Q2D21W8R
					More data for this Ligand-Target Pair