BDBM185279 US10011588, Example 95::US10689373, Example 95::US9156829, 95

SMILES: CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F

InChI Key: InChIKey=BBHURGNHPCELRC-UHFFFAOYSA-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 = 185279   

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))	BDBM185279 (US10011588, Example 95 | US10689373, Example 95 | ...) Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C21H21F3N6O/c1-20(29-18-9-8-14(13-25-18)21(22,23)24)10-4-7-17(20)28-19(31)15-5-2-3-6-16(15)30-26-11-12-27-30/h2-3,5-6,8-9,11-13,17H,4,7,10H2,1H3,(H,25,29)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	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))	BDBM185279 (US10011588, Example 95 | US10689373, Example 95 | ...) Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C21H21F3N6O/c1-20(29-18-9-8-14(13-25-18)21(22,23)24)10-4-7-17(20)28-19(31)15-5-2-3-6-16(15)30-26-11-12-27-30/h2-3,5-6,8-9,11-13,17H,4,7,10H2,1H3,(H,25,29)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.07E+3	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))	BDBM185279 (US10011588, Example 95 | US10689373, Example 95 | ...) Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C21H21F3N6O/c1-20(29-18-9-8-14(13-25-18)21(22,23)24)10-4-7-17(20)28-19(31)15-5-2-3-6-16(15)30-26-11-12-27-30/h2-3,5-6,8-9,11-13,17H,4,7,10H2,1H3,(H,25,29)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.07E+3	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))	BDBM185279 (US10011588, Example 95 | US10689373, Example 95 | ...) Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C21H21F3N6O/c1-20(29-18-9-8-14(13-25-18)21(22,23)24)10-4-7-17(20)28-19(31)15-5-2-3-6-16(15)30-26-11-12-27-30/h2-3,5-6,8-9,11-13,17H,4,7,10H2,1H3,(H,25,29)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.07E+3	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))	BDBM185279 (US10011588, Example 95 | US10689373, Example 95 | ...) Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C21H21F3N6O/c1-20(29-18-9-8-14(13-25-18)21(22,23)24)10-4-7-17(20)28-19(31)15-5-2-3-6-16(15)30-26-11-12-27-30/h2-3,5-6,8-9,11-13,17H,4,7,10H2,1H3,(H,25,29)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	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))	BDBM185279 (US10011588, Example 95 | US10689373, Example 95 | ...) Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C21H21F3N6O/c1-20(29-18-9-8-14(13-25-18)21(22,23)24)10-4-7-17(20)28-19(31)15-5-2-3-6-16(15)30-26-11-12-27-30/h2-3,5-6,8-9,11-13,17H,4,7,10H2,1H3,(H,25,29)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	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