BDBM50074105 CHEMBL3409857::US9242970, 256

SMILES: COc1cccc(OC)c1C1CC(F)(F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=PLXRFUMPYLQAFR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50074105   

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 2 (Homo sapiens (Human))	BDBM50074105 (CHEMBL3409857 | US9242970, 256) Show SMILES COc1cccc(OC)c1C1CC(F)(F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F5NO4/c1-28-15-4-3-5-16(29-2)17(15)14-10-19(21,22)18(27)26(14)11-12-6-8-13(9-7-12)30-20(23,24)25/h3-9,14H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...				US Patent US9242970 (2016) BindingDB Entry DOI: 10.7270/Q2R49PK4
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50074105 (CHEMBL3409857 | US9242970, 256) Show SMILES COc1cccc(OC)c1C1CC(F)(F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F5NO4/c1-28-15-4-3-5-16(29-2)17(15)14-10-19(21,22)18(27)26(14)11-12-6-8-13(9-7-12)30-20(23,24)25/h3-9,14H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...				US Patent US9242970 (2016) BindingDB Entry DOI: 10.7270/Q2R49PK4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50074105 (CHEMBL3409857 | US9242970, 256) Show SMILES COc1cccc(OC)c1C1CC(F)(F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F5NO4/c1-28-15-4-3-5-16(29-2)17(15)14-10-19(21,22)18(27)26(14)11-12-6-8-13(9-7-12)30-20(23,24)25/h3-9,14H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using testosterone as marker substrate				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50074105 (CHEMBL3409857 | US9242970, 256) Show SMILES COc1cccc(OC)c1C1CC(F)(F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F5NO4/c1-28-15-4-3-5-16(29-2)17(15)14-10-19(21,22)18(27)26(14)11-12-6-8-13(9-7-12)30-20(23,24)25/h3-9,14H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50074105 (CHEMBL3409857 | US9242970, 256) Show SMILES COc1cccc(OC)c1C1CC(F)(F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F5NO4/c1-28-15-4-3-5-16(29-2)17(15)14-10-19(21,22)18(27)26(14)11-12-6-8-13(9-7-12)30-20(23,24)25/h3-9,14H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
					More data for this Ligand-Target Pair