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BDBM50126025 4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-2-quinolin-8-yl-benzonitrile::CHEMBL24159

SMILES: Cn1cncc1C(O)(C#Cc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2cccnc12

InChI Key: InChIKey=OCGBVMDVBLYKEO-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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

Found 3 hits for monomerid = 50126025   
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 (PFT)


(Homo sapiens (Human))
BDBM50126025
PNG
(4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2cccnc12
Show InChI InChI=1S/C30H19N5O/c1-35-20-33-19-28(35)30(36,14-13-21-7-9-22(17-31)10-8-21)25-12-11-24(18-32)27(16-25)26-6-2-4-23-5-3-15-34-29(23)26/h2-12,15-16,19-20,36H,1H3
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PC cid
PC sid
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PubMed
n/an/a 1n/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
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50126025
PNG
(4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2cccnc12
Show InChI InChI=1S/C30H19N5O/c1-35-20-33-19-28(35)30(36,14-13-21-7-9-22(17-31)10-8-21)25-12-11-24(18-32)27(16-25)26-6-2-4-23-5-3-15-34-29(23)26/h2-12,15-16,19-20,36H,1H3
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PC sid
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PubMed
n/an/an/an/a<1n/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
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126025
PNG
(4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2cccnc12
Show InChI InChI=1S/C30H19N5O/c1-35-20-33-19-28(35)30(36,14-13-21-7-9-22(17-31)10-8-21)25-12-11-24(18-32)27(16-25)26-6-2-4-23-5-3-15-34-29(23)26/h2-12,15-16,19-20,36H,1H3
PDB
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PubMed
n/an/a 8.30E+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