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SMILES: CC(NCc1cn(nc1-c1ccc(F)cc1)-c1ccc(C)cc1)c1cnn(C)c1C

InChI Key: InChIKey=MBDOYHYQUXBBFT-UHFFFAOYSA-N

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 1 hit for monomerid = 83337   
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
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM83337
PNG
(1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-{[3-(4-fluoroph...)
Show SMILES CC(NCc1cn(nc1-c1ccc(F)cc1)-c1ccc(C)cc1)c1cnn(C)c1C
Show InChI InChI=1S/C24H26FN5/c1-16-5-11-22(12-6-16)30-15-20(24(28-30)19-7-9-21(25)10-8-19)13-26-17(2)23-14-27-29(4)18(23)3/h5-12,14-15,17,26H,13H2,1-4H3
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PCBioAssay
n/an/an/an/a 5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair