BDBM256898 US9493432, 22

SMILES: COc1cccc(OC)c1C(=O)NC1CN(CC1Nc1nc2ccc(Cl)cc2s1)C(=O)OCc1ccccc1

InChI Key: InChIKey=YUAQEWZWSNKNGF-UHFFFAOYSA-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 = 256898   

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))	BDBM256898 (US9493432, 22) Show SMILES COc1cccc(OC)c1C(=O)NC1CN(CC1Nc1nc2ccc(Cl)cc2s1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C28H27ClN4O5S/c1-36-22-9-6-10-23(37-2)25(22)26(34)30-20-14-33(28(35)38-16-17-7-4-3-5-8-17)15-21(20)32-27-31-19-12-11-18(29)13-24(19)39-27/h3-13,20-21H,14-16H2,1-2H3,(H,30,34)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals 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 US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM256898 (US9493432, 22) Show SMILES COc1cccc(OC)c1C(=O)NC1CN(CC1Nc1nc2ccc(Cl)cc2s1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C28H27ClN4O5S/c1-36-22-9-6-10-23(37-2)25(22)26(34)30-20-14-33(28(35)38-16-17-7-4-3-5-8-17)15-21(20)32-27-31-19-12-11-18(29)13-24(19)39-27/h3-13,20-21H,14-16H2,1-2H3,(H,30,34)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals 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 US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair