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BDBM50174224 (R)-2-Acetylamino-3-[(2Z,6E)-7,11-dimethyl-3-(3-methyl-but-2-enyl)-dodeca-2,6,10-trienylsulfanyl]-propionic acid anion

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O

InChI Key: InChIKey=VQFNFRQNLQVQIW-YDBAKGBQSA-M

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50174224   
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
Isoprenylcysteine carboxyl methyltransferase


(Saccharomyces cerevisiae)
BDBM50174224
PNG
((R)-2-Acetylamino-3-[(2Z,6E)-7,11-dimethyl-3-(3-me...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O
Show InChI InChI=1S/C24H39NO3S/c1-18(2)9-7-10-20(5)11-8-12-22(14-13-19(3)4)15-16-29-17-23(24(27)28)25-21(6)26/h9,11,13,15,23H,7-8,10,12,14,16-17H2,1-6H3,(H,25,26)(H,27,28)/p-1/b20-11+,22-15-/t23-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
1.71E+4n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase


Bioorg Med Chem Lett 15: 5080-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.075
BindingDB Entry DOI: 10.7270/Q2028SBB
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Saccharomyces cerevisiae)
BDBM50174224
PNG
((R)-2-Acetylamino-3-[(2Z,6E)-7,11-dimethyl-3-(3-me...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O
Show InChI InChI=1S/C24H39NO3S/c1-18(2)9-7-10-20(5)11-8-12-22(14-13-19(3)4)15-16-29-17-23(24(27)28)25-21(6)26/h9,11,13,15,23H,7-8,10,12,14,16-17H2,1-6H3,(H,25,26)(H,27,28)/p-1/b20-11+,22-15-/t23-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase by Casey method; Range 7 - 14 uM


Bioorg Med Chem Lett 15: 5080-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.075
BindingDB Entry DOI: 10.7270/Q2028SBB
More data for this
Ligand-Target Pair
Isoprenylcysteine carboxyl methyltransferase


(Saccharomyces cerevisiae)
BDBM50174224
PNG
((R)-2-Acetylamino-3-[(2Z,6E)-7,11-dimethyl-3-(3-me...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6]\[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O
Show InChI InChI=1S/C24H39NO3S/c1-18(2)9-7-10-20(5)11-8-12-22(14-13-19(3)4)15-16-29-17-23(24(27)28)25-21(6)26/h9,11,13,15,23H,7-8,10,12,14,16-17H2,1-6H3,(H,25,26)(H,27,28)/p-1/b20-11+,22-15-/t23-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase


Bioorg Med Chem Lett 15: 5080-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.075
BindingDB Entry DOI: 10.7270/Q2028SBB
More data for this
Ligand-Target Pair