BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cocaine esterase' and Ligand = 'BDBM50130884'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cocaine esterase


(Homo sapiens (Human))		BDBM50130884
PNG
(CHEMBL3632946)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)OCC)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
Show InChI InChI=1S/C32H54O5/c1-10-37-29(5,6)27(36)23(34)17-19(2)20-11-15-31(8)21(20)18-22(33)26-30(7)14-13-25(35)28(3,4)24(30)12-16-32(26,31)9/h19,22-24,26-27,33-34,36H,10-18H2,1-9H3/t19-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.72E+3n/an/an/an/an/an/a



Liaoning University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by fluorescence assay

J Nat Prod 78: 2372-80 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00321
BindingDB Entry DOI: 10.7270/Q20K2BDR
More data for this
Ligand-Target Pair