BDBM185290 US10011588, Example 107::US10689373, Example 107::US9156829, 107

SMILES: FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)c(Br)c1

InChI Key: InChIKey=SNSPXEVGJTVASB-HOTGVXAUSA-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 = 185290   

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))	BDBM185290 (US10011588, Example 107 | US10689373, Example 107 ...) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)c(Br)c1 |r| Show InChI InChI=1S/C20H18BrF3N6O/c21-14-10-12(20(22,23)24)11-25-18(14)28-15-5-3-6-16(15)29-19(31)13-4-1-2-7-17(13)30-26-8-9-27-30/h1-2,4,7-11,15-16H,3,5-6H2,(H,25,28)(H,29,31)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	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))	BDBM185290 (US10011588, Example 107 | US10689373, Example 107 ...) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)c(Br)c1 |r| Show InChI InChI=1S/C20H18BrF3N6O/c21-14-10-12(20(22,23)24)11-25-18(14)28-15-5-3-6-16(15)29-19(31)13-4-1-2-7-17(13)30-26-8-9-27-30/h1-2,4,7-11,15-16H,3,5-6H2,(H,25,28)(H,29,31)/t15-,16-/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))	BDBM185290 (US10011588, Example 107 | US10689373, Example 107 ...) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)c(Br)c1 |r| Show InChI InChI=1S/C20H18BrF3N6O/c21-14-10-12(20(22,23)24)11-25-18(14)28-15-5-3-6-16(15)29-19(31)13-4-1-2-7-17(13)30-26-8-9-27-30/h1-2,4,7-11,15-16H,3,5-6H2,(H,25,28)(H,29,31)/t15-,16-/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))	BDBM185290 (US10011588, Example 107 | US10689373, Example 107 ...) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)c(Br)c1 |r| Show InChI InChI=1S/C20H18BrF3N6O/c21-14-10-12(20(22,23)24)11-25-18(14)28-15-5-3-6-16(15)29-19(31)13-4-1-2-7-17(13)30-26-8-9-27-30/h1-2,4,7-11,15-16H,3,5-6H2,(H,25,28)(H,29,31)/t15-,16-/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))	BDBM185290 (US10011588, Example 107 | US10689373, Example 107 ...) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)c(Br)c1 |r| Show InChI InChI=1S/C20H18BrF3N6O/c21-14-10-12(20(22,23)24)11-25-18(14)28-15-5-3-6-16(15)29-19(31)13-4-1-2-7-17(13)30-26-8-9-27-30/h1-2,4,7-11,15-16H,3,5-6H2,(H,25,28)(H,29,31)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	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))	BDBM185290 (US10011588, Example 107 | US10689373, Example 107 ...) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)c(Br)c1 |r| Show InChI InChI=1S/C20H18BrF3N6O/c21-14-10-12(20(22,23)24)11-25-18(14)28-15-5-3-6-16(15)29-19(31)13-4-1-2-7-17(13)30-26-8-9-27-30/h1-2,4,7-11,15-16H,3,5-6H2,(H,25,28)(H,29,31)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	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