BDBM257871 US9493446, 340

SMILES: COc1c(F)cccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1

InChI Key: InChIKey=BRUXZKWUDDEDNK-IBGZPJMESA-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 = 257871   

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))	BDBM257871 (US9493446, 340) Show SMILES COc1c(F)cccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1 Show InChI InChI=1S/C24H23FN6O3/c1-14-12-17(20(13-15(14)2)31-26-9-10-27-31)24(32)30-11-5-8-19(30)22-28-23(34-29-22)16-6-4-7-18(25)21(16)33-3/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...				US Patent US9493446 (2016) BindingDB Entry DOI: 10.7270/Q2DR2TD0
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM257871 (US9493446, 340) Show SMILES COc1c(F)cccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1 Show InChI InChI=1S/C24H23FN6O3/c1-14-12-17(20(13-15(14)2)31-26-9-10-27-31)24(32)30-11-5-8-19(30)22-28-23(34-29-22)16-6-4-7-18(25)21(16)33-3/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...				US Patent US9493446 (2016) BindingDB Entry DOI: 10.7270/Q2DR2TD0
					More data for this Ligand-Target Pair