BDBM50074098 CHEMBL3409864

SMILES: COc1cccc(OC)c1[C@@H]1C[C@@H](N)C(=O)N1Cc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=BZZNFSIXEABLFR-CABCVRRESA-N

Data: 2 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 2 hits for monomerid = 50074098   

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))	BDBM50074098 (CHEMBL3409864) Show SMILES COc1cccc(OC)c1[C@@H]1C[C@@H](N)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C20H21F3N2O4/c1-27-16-4-3-5-17(28-2)18(16)15-10-14(24)19(26)25(15)11-12-6-8-13(9-7-12)29-20(21,22)23/h3-9,14-15H,10-11,24H2,1-2H3/t14-,15+/m1/s1	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	2.05E+3	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))	BDBM50074098 (CHEMBL3409864) Show SMILES COc1cccc(OC)c1[C@@H]1C[C@@H](N)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C20H21F3N2O4/c1-27-16-4-3-5-17(28-2)18(16)15-10-14(24)19(26)25(15)11-12-6-8-13(9-7-12)29-20(21,22)23/h3-9,14-15H,10-11,24H2,1-2H3/t14-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	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