BDBM185313 US10011588, Example 132::US10689373, Example 132::US9156829, 132

SMILES: Fc1cc(cnc1N[C@H]1CC(F)(F)C[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F

InChI Key: InChIKey=CEUMPKROGDDTHP-GJZGRUSLSA-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 = 185313   

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))	BDBM185313 (US10011588, Example 132 | US10689373, Example 132 ...) Show SMILES Fc1cc(cnc1N[C@H]1CC(F)(F)C[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H16F6N6O/c21-13-7-11(20(24,25)26)10-27-17(13)30-14-8-19(22,23)9-15(14)31-18(33)12-3-1-2-4-16(12)32-28-5-6-29-32/h1-7,10,14-15H,8-9H2,(H,27,30)(H,31,33)/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	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))	BDBM185313 (US10011588, Example 132 | US10689373, Example 132 ...) Show SMILES Fc1cc(cnc1N[C@H]1CC(F)(F)C[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H16F6N6O/c21-13-7-11(20(24,25)26)10-27-17(13)30-14-8-19(22,23)9-15(14)31-18(33)12-3-1-2-4-16(12)32-28-5-6-29-32/h1-7,10,14-15H,8-9H2,(H,27,30)(H,31,33)/t14-,15-/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))	BDBM185313 (US10011588, Example 132 | US10689373, Example 132 ...) Show SMILES Fc1cc(cnc1N[C@H]1CC(F)(F)C[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H16F6N6O/c21-13-7-11(20(24,25)26)10-27-17(13)30-14-8-19(22,23)9-15(14)31-18(33)12-3-1-2-4-16(12)32-28-5-6-29-32/h1-7,10,14-15H,8-9H2,(H,27,30)(H,31,33)/t14-,15-/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))	BDBM185313 (US10011588, Example 132 | US10689373, Example 132 ...) Show SMILES Fc1cc(cnc1N[C@H]1CC(F)(F)C[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H16F6N6O/c21-13-7-11(20(24,25)26)10-27-17(13)30-14-8-19(22,23)9-15(14)31-18(33)12-3-1-2-4-16(12)32-28-5-6-29-32/h1-7,10,14-15H,8-9H2,(H,27,30)(H,31,33)/t14-,15-/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))	BDBM185313 (US10011588, Example 132 | US10689373, Example 132 ...) Show SMILES Fc1cc(cnc1N[C@H]1CC(F)(F)C[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H16F6N6O/c21-13-7-11(20(24,25)26)10-27-17(13)30-14-8-19(22,23)9-15(14)31-18(33)12-3-1-2-4-16(12)32-28-5-6-29-32/h1-7,10,14-15H,8-9H2,(H,27,30)(H,31,33)/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	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))	BDBM185313 (US10011588, Example 132 | US10689373, Example 132 ...) Show SMILES Fc1cc(cnc1N[C@H]1CC(F)(F)C[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H16F6N6O/c21-13-7-11(20(24,25)26)10-27-17(13)30-14-8-19(22,23)9-15(14)31-18(33)12-3-1-2-4-16(12)32-28-5-6-29-32/h1-7,10,14-15H,8-9H2,(H,27,30)(H,31,33)/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	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