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PubMed code 23566315

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50327696
PNG
(2-(1-octyl-5-m-tolyl-1H-indol-3-yl)acetamide | CHE...)
Show SMILES CCCCCCCCn1cc(CC(N)=O)c2cc(ccc12)-c1cccc(C)c1
Show InChI InChI=1S/C25H32N2O/c1-3-4-5-6-7-8-14-27-18-22(17-25(26)28)23-16-21(12-13-24(23)27)20-11-9-10-19(2)15-20/h9-13,15-16,18H,3-8,14,17H2,1-2H3,(H2,26,28)
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Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of recombinant ICMT (unknown origin) expressed in sf9 cells using biotin S-farnesyl-L-cysteine as substrate


J Med Chem 56: 5219-30 (2014)


Article DOI: 10.1021/jm3017706
BindingDB Entry DOI: 10.7270/Q2GB25F2
More data for this
Ligand-Target Pair
GTPase KRas


(Homo sapiens (Human))
BDBM50436053
PNG
(CHEMBL2396992)
Show SMILES Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN
Show InChI InChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3
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Article
PubMed
n/an/a 1.55E+5n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of full-length human KRas4B (amino acids 1 to 188)-SOS interaction assessed as inhibition of SOS-mediated nucleotide release activity


J Med Chem 56: 5219-30 (2014)


Article DOI: 10.1021/jm3017706
BindingDB Entry DOI: 10.7270/Q2GB25F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GTPase KRas


(Homo sapiens (Human))
BDBM50436053
PNG
(CHEMBL2396992)
Show SMILES Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN
Show InChI InChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3
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CHEMBL
MMDB
PC cid
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PDB
Article
PubMed
n/an/a 3.42E+5n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of full-length human KRas4B (amino acids 1 to 188)-SOS interaction assessed as inhibition of nucleotide exchange activity


J Med Chem 56: 5219-30 (2014)


Article DOI: 10.1021/jm3017706
BindingDB Entry DOI: 10.7270/Q2GB25F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%