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BDBM50133882 CHEMBL3634011

SMILES: CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccn1

InChI Key: InChIKey=HXYCWSRDMNSHFN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133882   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Orexin receptor type 1


(Homo sapiens (Human))		BDBM50133882
PNG
(CHEMBL3634011)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccn1
Show InChI InChI=1S/C23H20F3N5O2/c1-14(17-10-6-7-11-27-17)28-18(32)13-33-19-12-16(23(24,25)26)20-21(15-8-4-3-5-9-15)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)
PDB

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Similars
PubMed
 2.67E+3n/an/an/an/an/an/an/an/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