BDBM50384421 CHEMBL2031483

SMILES: Cc1nc(c(s1)C(=O)N1CCCCC1CNc1ccc(cn1)C(F)(F)F)-c1ccccc1

InChI Key: InChIKey=AZZBTULNABQPFK-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 = 50384421   

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))	BDBM50384421 (CHEMBL2031483) Show SMILES Cc1nc(c(s1)C(=O)N1CCCCC1CNc1ccc(cn1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C23H23F3N4OS/c1-15-29-20(16-7-3-2-4-8-16)21(32-15)22(31)30-12-6-5-9-18(30)14-28-19-11-10-17(13-27-19)23(24,25)26/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50384421 (CHEMBL2031483) Show SMILES Cc1nc(c(s1)C(=O)N1CCCCC1CNc1ccc(cn1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C23H23F3N4OS/c1-15-29-20(16-7-3-2-4-8-16)21(32-15)22(31)30-12-6-5-9-18(30)14-28-19-11-10-17(13-27-19)23(24,25)26/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair