BDBM50074111 CHEMBL3409851

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

InChI Key: InChIKey=GFIGTNGISUKHQE-CJNGLKHVSA-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 = 50074111   

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))	BDBM50074111 (CHEMBL3409851) Show SMILES COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H22F3NO4/c1-13-11-16(19-17(27-2)5-4-6-18(19)28-3)25(20(13)26)12-14-7-9-15(10-8-14)29-21(22,23)24/h4-10,13,16H,11-12H2,1-3H3/t13-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	119	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))	BDBM50074111 (CHEMBL3409851) Show SMILES COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H22F3NO4/c1-13-11-16(19-17(27-2)5-4-6-18(19)28-3)25(20(13)26)12-14-7-9-15(10-8-14)29-21(22,23)24/h4-10,13,16H,11-12H2,1-3H3/t13-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	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