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BDBM50126024 4-[3-(5,3'-Dichloro-biphenyl-2-yl)-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-benzonitrile::CHEMBL277646

SMILES: Cn1cncc1C(O)(C#Cc1ccc(Cl)cc1-c1cccc(Cl)c1)c1ccc(cc1)C#N

InChI Key: InChIKey=AYVGITDSDRJQKI-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50126024   
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))
BDBM50126024
PNG
(4-[3-(5,3'-Dichloro-biphenyl-2-yl)-1-hydroxy-1-(3-...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(Cl)cc1-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H17Cl2N3O/c1-31-17-30-16-25(31)26(32,21-8-5-18(15-29)6-9-21)12-11-19-7-10-23(28)14-24(19)20-3-2-4-22(27)13-20/h2-10,13-14,16-17,32H,1H3
PDB
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PC cid
PC sid
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Similars

PubMed
n/an/an/an/a 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
Geranylgeranyl transferase type I


(Homo sapiens (Human))
BDBM50126024
PNG
(4-[3-(5,3'-Dichloro-biphenyl-2-yl)-1-hydroxy-1-(3-...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(Cl)cc1-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H17Cl2N3O/c1-31-17-30-16-25(31)26(32,21-8-5-18(15-29)6-9-21)12-11-19-7-10-23(28)14-24(19)20-3-2-4-22(27)13-20/h2-10,13-14,16-17,32H,1H3
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PC sid
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PubMed
n/an/a 100n/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))
BDBM50126024
PNG
(4-[3-(5,3'-Dichloro-biphenyl-2-yl)-1-hydroxy-1-(3-...)
Show SMILES Cn1cncc1C(O)(C#Cc1ccc(Cl)cc1-c1cccc(Cl)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H17Cl2N3O/c1-31-17-30-16-25(31)26(32,21-8-5-18(15-29)6-9-21)12-11-19-7-10-23(28)14-24(19)20-3-2-4-22(27)13-20/h2-10,13-14,16-17,32H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.40n/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