BindingDB logo
myBDB logout

null

SMILES: COc1cc(C=C(C#N)c2nc3CCCCc3s2)ccc1O

InChI Key: InChIKey=MGQOTWDFXNKAKL-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 = 47024   
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
Phosphotransferase


(Trypanosoma brucei)		BDBM47024
PNG
((2E,3E)-3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5...)
Show SMILES COc1cc(C=C(C#N)c2nc3CCCCc3s2)ccc1O
Show InChI InChI=1S/C17H16N2O2S/c1-21-15-9-11(6-7-14(15)20)8-12(10-18)17-19-13-4-2-3-5-16(13)22-17/h6-9,20H,2-5H2,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.53E+3n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleep...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2N29VCW
More data for this
Ligand-Target Pair