BDBM185316 US10011588, Example 137::US10689373, Example 137::US9156829, 137

SMILES: Cc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-c1ncccn1)C(F)(F)F

InChI Key: InChIKey=KFCQGGTWJKMTCE-IRXDYDNUSA-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 = 185316   

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))	BDBM185316 (US10011588, Example 137 | US10689373, Example 137 ...) Show SMILES Cc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-c1ncccn1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O/c1-13-11-14(22(23,24)25)12-29-19(13)30-16-6-2-7-17(16)31-21(32)18-15(5-3-8-26-18)20-27-9-4-10-28-20/h3-5,8-12,16-17H,2,6-7H2,1H3,(H,29,30)(H,31,32)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	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))	BDBM185316 (US10011588, Example 137 | US10689373, Example 137 ...) Show SMILES Cc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-c1ncccn1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O/c1-13-11-14(22(23,24)25)12-29-19(13)30-16-6-2-7-17(16)31-21(32)18-15(5-3-8-26-18)20-27-9-4-10-28-20/h3-5,8-12,16-17H,2,6-7H2,1H3,(H,29,30)(H,31,32)/t16-,17-/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))	BDBM185316 (US10011588, Example 137 | US10689373, Example 137 ...) Show SMILES Cc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-c1ncccn1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O/c1-13-11-14(22(23,24)25)12-29-19(13)30-16-6-2-7-17(16)31-21(32)18-15(5-3-8-26-18)20-27-9-4-10-28-20/h3-5,8-12,16-17H,2,6-7H2,1H3,(H,29,30)(H,31,32)/t16-,17-/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))	BDBM185316 (US10011588, Example 137 | US10689373, Example 137 ...) Show SMILES Cc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-c1ncccn1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O/c1-13-11-14(22(23,24)25)12-29-19(13)30-16-6-2-7-17(16)31-21(32)18-15(5-3-8-26-18)20-27-9-4-10-28-20/h3-5,8-12,16-17H,2,6-7H2,1H3,(H,29,30)(H,31,32)/t16-,17-/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))	BDBM185316 (US10011588, Example 137 | US10689373, Example 137 ...) Show SMILES Cc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-c1ncccn1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O/c1-13-11-14(22(23,24)25)12-29-19(13)30-16-6-2-7-17(16)31-21(32)18-15(5-3-8-26-18)20-27-9-4-10-28-20/h3-5,8-12,16-17H,2,6-7H2,1H3,(H,29,30)(H,31,32)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	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))	BDBM185316 (US10011588, Example 137 | US10689373, Example 137 ...) Show SMILES Cc1cc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-c1ncccn1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O/c1-13-11-14(22(23,24)25)12-29-19(13)30-16-6-2-7-17(16)31-21(32)18-15(5-3-8-26-18)20-27-9-4-10-28-20/h3-5,8-12,16-17H,2,6-7H2,1H3,(H,29,30)(H,31,32)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	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