BDBM50133875 CHEMBL3634023

SMILES: C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccn1)C(F)(F)F)c1ccccc1

InChI Key: InChIKey=NAFUUSQAXBQFMU-AWEZNQCLSA-N

Data: 2 KI

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 = 50133875   

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))	BDBM50133875 (CHEMBL3634023) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccn1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H20F3N5O2/c1-14(15-8-4-3-5-9-15)28-18(32)13-33-19-12-16(23(24,25)26)20-21(17-10-6-7-11-27-17)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	367	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50133875 (CHEMBL3634023) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccn1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H20F3N5O2/c1-14(15-8-4-3-5-9-15)28-18(32)13-33-19-12-16(23(24,25)26)20-21(17-10-6-7-11-27-17)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair