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BDBM50126034 4-[1-Hydroxy-3-(3'-methoxy-5-pentanoyl-biphenyl-2-yl)-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-benzonitrile::CHEMBL26511

SMILES: CCCCC(=O)c1ccc(C#CC(O)(c2cncn2C)c2ccc(cc2)C#N)c(c1)-c1cccc(OC)c1

InChI Key: InChIKey=QMIGNVNXSVGBEL-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50126034   
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
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126034
PNG
(4-[1-Hydroxy-3-(3'-methoxy-5-pentanoyl-biphenyl-2-...)
Show SMILES CCCCC(=O)c1ccc(C#CC(O)(c2cncn2C)c2ccc(cc2)C#N)c(c1)-c1cccc(OC)c1
Show InChI InChI=1S/C32H29N3O3/c1-4-5-9-30(36)26-13-12-24(29(19-26)25-7-6-8-28(18-25)38-3)16-17-32(37,31-21-34-22-35(31)2)27-14-10-23(20-33)11-15-27/h6-8,10-15,18-19,21-22,37H,4-5,9H2,1-3H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GGTase-catalyzed incorporation of [3H]-GGPP into biotinylated peptide of C-terminal of human K-Ras


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126034
PNG
(4-[1-Hydroxy-3-(3'-methoxy-5-pentanoyl-biphenyl-2-...)
Show SMILES CCCCC(=O)c1ccc(C#CC(O)(c2cncn2C)c2ccc(cc2)C#N)c(c1)-c1cccc(OC)c1
Show InChI InChI=1S/C32H29N3O3/c1-4-5-9-30(36)26-13-12-24(29(19-26)25-7-6-8-28(18-25)38-3)16-17-32(37,31-21-34-22-35(31)2)27-14-10-23(20-33)11-15-27/h6-8,10-15,18-19,21-22,37H,4-5,9H2,1-3H3
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PubMed
n/an/an/an/a<0.100n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of farnesylation in NIH-3T3H-ras cell line


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126034
PNG
(4-[1-Hydroxy-3-(3'-methoxy-5-pentanoyl-biphenyl-2-...)
Show SMILES CCCCC(=O)c1ccc(C#CC(O)(c2cncn2C)c2ccc(cc2)C#N)c(c1)-c1cccc(OC)c1
Show InChI InChI=1S/C32H29N3O3/c1-4-5-9-30(36)26-13-12-24(29(19-26)25-7-6-8-28(18-25)38-3)16-17-32(37,31-21-34-22-35(31)2)27-14-10-23(20-33)11-15-27/h6-8,10-15,18-19,21-22,37H,4-5,9H2,1-3H3
PDB
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antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FTase-catalyzed incorporation of [3H]-FPP into recombinant Ras CVIM


Bioorg Med Chem Lett 13: 1293-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DV1J8J
More data for this
Ligand-Target Pair