BindingDB logo
myBDB logout

null

SMILES: CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1Cl

InChI Key: InChIKey=JNTOFJDDMPTVKR-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 = 50298400   
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
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50298400
PNG
((+/-)-3,12-Dichloro-6,7,10,11-tetrahydro-9-methyl-...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1Cl |t:1,TLB:18:7:4:6.2.1,THB:0:1:4:9.8.7,10:8:4:6.2.1|
Show InChI InChI=1S/C17H15Cl2N/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 2.24E+4n/an/an/an/an/an/a



COBRA-CNRS UMR 6014& FR 3038

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE in erythrocytes by Ellman's assay

Bioorg Med Chem 17: 4523-36 (2009)


Article DOI: 10.1016/j.bmc.2009.05.005
BindingDB Entry DOI: 10.7270/Q2K938GQ
More data for this
Ligand-Target Pair