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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM50176465'   
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
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50176465
PNG
(CHEMBL382961 | haloxysterol C)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C |c:25,t:15|
Show InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h13,17-20,23-25,27,31H,7-12,14-16H2,1-6H3/t19-,20+,23?,24+,25?,27+,28-,29+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50176465
PNG
(CHEMBL382961 | haloxysterol C)
Show SMILES CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C |c:25,t:15|
Show InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h13,17-20,23-25,27,31H,7-12,14-16H2,1-6H3/t19-,20+,23?,24+,25?,27+,28-,29+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.78E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibitory activity against BuChE from horse serum


Bioorg Med Chem Lett 16: 573-80 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.042
BindingDB Entry DOI: 10.7270/Q29P3170
More data for this
Ligand-Target Pair