BDBM50384414 CHEMBL2031506

SMILES: C[C@H]1CCC[C@@H](CNc2ccc(cn2)C(F)(F)F)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1

InChI Key: InChIKey=SBWIUDUFVJTASW-LIRRHRJNSA-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 = 50384414   

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 1 (Homo sapiens (Human))	BDBM50384414 (CHEMBL2031506) Show SMILES C[C@H]1CCC[C@@H](CNc2ccc(cn2)C(F)(F)F)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H24F4N4OS/c1-14-4-3-5-19(13-30-20-11-8-17(12-29-20)24(26,27)28)32(14)23(33)21-22(34-15(2)31-21)16-6-9-18(25)10-7-16/h6-12,14,19H,3-5,13H2,1-2H3,(H,29,30)/t14-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384414 (CHEMBL2031506) Show SMILES C[C@H]1CCC[C@@H](CNc2ccc(cn2)C(F)(F)F)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H24F4N4OS/c1-14-4-3-5-19(13-30-20-11-8-17(12-29-20)24(26,27)28)32(14)23(33)21-22(34-15(2)31-21)16-6-9-18(25)10-7-16/h6-12,14,19H,3-5,13H2,1-2H3,(H,29,30)/t14-,19-/m0/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	96	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