BDBM50431855 CHEMBL2347487

SMILES: CCc1nc(SC)c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1

InChI Key: InChIKey=ASOGTPQYQUOJGF-JTHBVZDNSA-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 = 50431855   

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))	BDBM50431855 (CHEMBL2347487) Show SMILES CCc1nc(SC)c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C27H31F3N4OS/c1-4-22-32-26(36-3)24-21(15-12-18-10-13-20(14-11-18)27(28,29)30)33(16-17-34(22)24)23(25(35)31-2)19-8-6-5-7-9-19/h5-11,13-14,21,23H,4,12,15-17H2,1-3H3,(H,31,35)/t21-,23+/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of orexin A-induced calcium influx by FLIPR assay				Bioorg Med Chem Lett 23: 2212-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.088 BindingDB Entry DOI: 10.7270/Q2ZS2XWT
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50431855 (CHEMBL2347487) Show SMILES CCc1nc(SC)c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C27H31F3N4OS/c1-4-22-32-26(36-3)24-21(15-12-18-10-13-20(14-11-18)27(28,29)30)33(16-17-34(22)24)23(25(35)31-2)19-8-6-5-7-9-19/h5-11,13-14,21,23H,4,12,15-17H2,1-3H3,(H,31,35)/t21-,23+/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	85	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced calcium influx by FLIPR assay				Bioorg Med Chem Lett 23: 2212-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.088 BindingDB Entry DOI: 10.7270/Q2ZS2XWT
					More data for this Ligand-Target Pair