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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50033883   
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
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50353182
PNG
(CHEMBL1829501)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1cn(-[#6]-[#6@H](-[#7]-[#6](=O)-c2ccccc2-[#8]-c2ccccc2)-[#6](-[#8])=O)nn1 |r|
Show InChI InChI=1S/C33H40N4O4/c1-24(2)12-10-13-25(3)14-11-15-26(4)20-21-27-22-37(36-35-27)23-30(33(39)40)34-32(38)29-18-8-9-19-31(29)41-28-16-6-5-7-17-28/h5-9,12,14,16-20,22,30H,10-11,13,15,21,23H2,1-4H3,(H,34,38)(H,39,40)/b25-14+,26-20+/t30-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.94E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT by vapor diffusion assay


Bioorg Med Chem Lett 21: 5616-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.053
BindingDB Entry DOI: 10.7270/Q2Q240MD
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens (Human))
BDBM50353183
PNG
(CHEMBL1829491)
Show SMILES CCCCCCCCc1ccc(CC\C(C)=C\CSC[C@H](NC(C)=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C25H39NO3S/c1-4-5-6-7-8-9-10-22-13-15-23(16-14-22)12-11-20(2)17-18-30-19-24(25(28)29)26-21(3)27/h13-17,24H,4-12,18-19H2,1-3H3,(H,26,27)(H,28,29)/b20-17+/t24-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.46E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ICMT by vapor diffusion assay


Bioorg Med Chem Lett 21: 5616-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.053
BindingDB Entry DOI: 10.7270/Q2Q240MD
More data for this
Ligand-Target Pair