BindingDB logo
myBDB logout

null

SMILES: COc1ccc(cc1)C(CNC(=O)c1cncc(Br)c1)N(C)C

InChI Key: InChIKey=OKLINPZPAOUHLX-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 = 83378   
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))		BDBM83378
PNG
(5-bromanyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)C(CNC(=O)c1cncc(Br)c1)N(C)C
Show InChI InChI=1S/C17H20BrN3O2/c1-21(2)16(12-4-6-15(23-3)7-5-12)11-20-17(22)13-8-14(18)10-19-9-13/h4-10,16H,11H2,1-3H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 2.69E+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