BDBM185338 US10011588, Example 160::US10689373, Example 160::US9156829, 160

SMILES: Cc1nnc(o1)-c1ccccc1C(=O)N[C@H]1CCC[C@]1(C)Nc1cnc(cn1)C(F)(F)F

InChI Key: InChIKey=YOECPOTYPHGLCT-YWZLYKJASA-N

Data: 6 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 6 hits for monomerid = 185338   

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 1 (Homo sapiens (Human))	BDBM185338 (US10011588, Example 160 | US10689373, Example 160 ...) Show SMILES Cc1nnc(o1)-c1ccccc1C(=O)N[C@H]1CCC[C@]1(C)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N6O2/c1-12-29-30-19(32-12)14-7-4-3-6-13(14)18(31)27-15-8-5-9-20(15,2)28-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,28)(H,27,31)/t15-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM185338 (US10011588, Example 160 | US10689373, Example 160 ...) Show SMILES Cc1nnc(o1)-c1ccccc1C(=O)N[C@H]1CCC[C@]1(C)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N6O2/c1-12-29-30-19(32-12)14-7-4-3-6-13(14)18(31)27-15-8-5-9-20(15,2)28-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,28)(H,27,31)/t15-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM185338 (US10011588, Example 160 | US10689373, Example 160 ...) Show SMILES Cc1nnc(o1)-c1ccccc1C(=O)N[C@H]1CCC[C@]1(C)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N6O2/c1-12-29-30-19(32-12)14-7-4-3-6-13(14)18(31)27-15-8-5-9-20(15,2)28-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,28)(H,27,31)/t15-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL 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 US10689373 (2020)
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM185338 (US10011588, Example 160 | US10689373, Example 160 ...) Show SMILES Cc1nnc(o1)-c1ccccc1C(=O)N[C@H]1CCC[C@]1(C)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N6O2/c1-12-29-30-19(32-12)14-7-4-3-6-13(14)18(31)27-15-8-5-9-20(15,2)28-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,28)(H,27,31)/t15-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM185338 (US10011588, Example 160 | US10689373, Example 160 ...) Show SMILES Cc1nnc(o1)-c1ccccc1C(=O)N[C@H]1CCC[C@]1(C)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N6O2/c1-12-29-30-19(32-12)14-7-4-3-6-13(14)18(31)27-15-8-5-9-20(15,2)28-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,28)(H,27,31)/t15-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL 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 US10689373 (2020)
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM185338 (US10011588, Example 160 | US10689373, Example 160 ...) Show SMILES Cc1nnc(o1)-c1ccccc1C(=O)N[C@H]1CCC[C@]1(C)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N6O2/c1-12-29-30-19(32-12)14-7-4-3-6-13(14)18(31)27-15-8-5-9-20(15,2)28-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,28)(H,27,31)/t15-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair