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SMILES: Cc1ccccc1-c1cc(ccc1C#N)C(O)(C#Cc1ccc(cc1)C#N)c1cncn1C

InChI Key: InChIKey=DUORQQSLNAGSSQ-UHFFFAOYSA-N

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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 = 50126032   
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-1 subunit beta


(Homo sapiens (Human))
BDBM50126032
PNG
(5-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cc1ccccc1-c1cc(ccc1C#N)C(O)(C#Cc1ccc(cc1)C#N)c1cncn1C
Show InChI InChI=1S/C28H20N4O/c1-20-5-3-4-6-25(20)26-15-24(12-11-23(26)17-30)28(33,27-18-31-19-32(27)2)14-13-21-7-9-22(16-29)10-8-21/h3-12,15,18-19,33H,1-2H3
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PC cid
PC sid
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PubMed
n/an/a 210n/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 subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50126032
PNG
(5-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cc1ccccc1-c1cc(ccc1C#N)C(O)(C#Cc1ccc(cc1)C#N)c1cncn1C
Show InChI InChI=1S/C28H20N4O/c1-20-5-3-4-6-25(20)26-15-24(12-11-23(26)17-30)28(33,27-18-31-19-32(27)2)14-13-21-7-9-22(16-29)10-8-21/h3-12,15,18-19,33H,1-2H3
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PubMed
n/an/a 0.840n/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 subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50126032
PNG
(5-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imi...)
Show SMILES Cc1ccccc1-c1cc(ccc1C#N)C(O)(C#Cc1ccc(cc1)C#N)c1cncn1C
Show InChI InChI=1S/C28H20N4O/c1-20-5-3-4-6-25(20)26-15-24(12-11-23(26)17-30)28(33,27-18-31-19-32(27)2)14-13-21-7-9-22(16-29)10-8-21/h3-12,15,18-19,33H,1-2H3
PDB
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UniChem

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PubMed
n/an/an/an/a 9.80n/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