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BDBM50127315 6-[(4-Cyano-3-naphthalen-1-yl-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-nicotinonitrile::A-315493::CHEMBL43631

SMILES: Cn1cncc1C(OCc1ccc(cn1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12

InChI Key: InChIKey=ACXPVQQIYOUAGF-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 50127315   
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))
BDBM50127315
PNG
(6-[(4-Cyano-3-naphthalen-1-yl-phenyl)-(3-methyl-3H...)
Show SMILES Cn1cncc1C(OCc1ccc(cn1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C29H21N5O/c1-34-19-32-17-28(34)29(35-18-24-12-9-20(14-30)16-33-24)22-10-11-23(15-31)27(13-22)26-8-4-6-21-5-2-3-7-25(21)26/h2-13,16-17,19,29H,18H2,1H3
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PC sid
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PubMed
n/an/a 24n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of transfer of [3H]-FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine GGTase-I


Bioorg Med Chem Lett 13: 1571-4 (2003)


BindingDB Entry DOI: 10.7270/Q27080TK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50127315
PNG
(6-[(4-Cyano-3-naphthalen-1-yl-phenyl)-(3-methyl-3H...)
Show SMILES Cn1cncc1C(OCc1ccc(cn1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C29H21N5O/c1-34-19-32-17-28(34)29(35-18-24-12-9-20(14-30)16-33-24)22-10-11-23(15-31)27(13-22)26-8-4-6-21-5-2-3-7-25(21)26/h2-13,16-17,19,29H,18H2,1H3
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PC sid
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PubMed
n/an/a 0.430n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of transfer of [3H]-FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine FTase


Bioorg Med Chem Lett 13: 1571-4 (2003)


BindingDB Entry DOI: 10.7270/Q27080TK
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50127315
PNG
(6-[(4-Cyano-3-naphthalen-1-yl-phenyl)-(3-methyl-3H...)
Show SMILES Cn1cncc1C(OCc1ccc(cn1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C29H21N5O/c1-34-19-32-17-28(34)29(35-18-24-12-9-20(14-30)16-33-24)22-10-11-23(15-31)27(13-22)26-8-4-6-21-5-2-3-7-25(21)26/h2-13,16-17,19,29H,18H2,1H3
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n/an/an/an/a 5.90n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro effective concentration of the compound against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50127315
PNG
(6-[(4-Cyano-3-naphthalen-1-yl-phenyl)-(3-methyl-3H...)
Show SMILES Cn1cncc1C(OCc1ccc(cn1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C29H21N5O/c1-34-19-32-17-28(34)29(35-18-24-12-9-20(14-30)16-33-24)22-10-11-23(15-31)27(13-22)26-8-4-6-21-5-2-3-7-25(21)26/h2-13,16-17,19,29H,18H2,1H3
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PC sid
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PubMed
n/an/a 0.730n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against farnesyltransferase (FT)


Bioorg Med Chem Lett 13: 4001-5 (2003)


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair