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SMILES: CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccccn2)cc1-c1ccccc1C)C([O-])=O

InChI Key: InChIKey=IQBYTJXPJBQWHC-MHZLTWQESA-M

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50076808   
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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076808
PNG
(CHEMBL10762 | Lithium; (S)-2-{[2'-methyl-5-(5-pyri...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccccn2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C30H30N2O5S/c1-20-7-3-4-8-23(20)25-17-21(10-12-24(25)29(33)32-27(30(34)35)14-16-38-2)18-36-19-22-11-13-28(37-22)26-9-5-6-15-31-26/h3-13,15,17,27H,14,16,18-19H2,1-2H3,(H,32,33)(H,34,35)/p-1/t27-/m0/s1
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MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/an/an/a>0.300n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50076808
PNG
(CHEMBL10762 | Lithium; (S)-2-{[2'-methyl-5-(5-pyri...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccccn2)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C30H30N2O5S/c1-20-7-3-4-8-23(20)25-17-21(10-12-24(25)29(33)32-27(30(34)35)14-16-38-2)18-36-19-22-11-13-28(37-22)26-9-5-6-15-31-26/h3-13,15,17,27H,14,16,18-19H2,1-2H3,(H,32,33)(H,34,35)/p-1/t27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair