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SMILES: Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(C#N)c(I)c1

InChI Key: InChIKey=ZLNNDPISKMQXCE-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50135386   
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 subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50135386
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-3-iodo-phenyl)-(3-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C26H19ClIN5O2/c1-32-15-31-13-23(32)25(17-6-7-18(11-29)22(28)10-17)35-14-24-21(16-4-3-5-20(27)8-16)9-19(12-30)26(34)33(24)2/h3-10,13,15,25H,14H2,1-2H3
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PC cid
PC sid
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PubMed
n/an/an/an/a 88n/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
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50135386
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-3-iodo-phenyl)-(3-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C26H19ClIN5O2/c1-32-15-31-13-23(32)25(17-6-7-18(11-29)22(28)10-17)35-14-24-21(16-4-3-5-20(27)8-16)9-19(12-30)26(34)33(24)2/h3-10,13,15,25H,14H2,1-2H3
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against Geranylgeranyl transferase type I


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


BindingDB Entry DOI: 10.7270/Q2H41QVX
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50135386
PNG
(5-(3-Chloro-phenyl)-6-[(4-cyano-3-iodo-phenyl)-(3-...)
Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1cccc(Cl)c1)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C26H19ClIN5O2/c1-32-15-31-13-23(32)25(17-6-7-18(11-29)22(28)10-17)35-14-24-21(16-4-3-5-20(27)8-16)9-19(12-30)26(34)33(24)2/h3-10,13,15,25H,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.75n/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