BindingDB logo
myBDB logout

null

SMILES: CCCCCC(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(OC)cc2)C(N)=O)C1

InChI Key: InChIKey=VRYFLDYTIZVGBI-DCCUJTHKSA-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 = 79503   
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
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))		BDBM79503
PNG
((8S)-3-[3-(caproylamino)phenyl]-7-p-anisoyl-1-oxa-...)
Show SMILES CCCCCC(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(OC)cc2)C(N)=O)C1 |t:15|
Show InChI InChI=1S/C27H32N4O5/c1-3-4-5-9-24(32)29-20-8-6-7-19(14-20)22-15-27(36-30-22)16-23(25(28)33)31(17-27)26(34)18-10-12-21(35-2)13-11-18/h6-8,10-14,23H,3-5,9,15-17H2,1-2H3,(H2,28,33)(H,29,32)/t23-,27?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 4.38E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2B56H72
More data for this
Ligand-Target Pair