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BDBM50130369 4-((1H-imidazol-1-yl)methyl)-2-(3-(2-oxoazepan-3-yl)phenoxy)benzonitrile::4-Imidazol-1-ylmethyl-2-[3-(2-oxo-azepan-3-yl)-phenoxy]-benzonitrile::CHEMBL100868

SMILES: O=C1NCCCCC1c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1

InChI Key: InChIKey=YRCIPCCRRZWPGD-UHFFFAOYSA-N

Data: 2 IC50

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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 2 hits for monomerid = 50130369   
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))
BDBM50130369
PNG
(4-((1H-imidazol-1-yl)methyl)-2-(3-(2-oxoazepan-3-y...)
Show SMILES O=C1NCCCCC1c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1
Show InChI InChI=1S/C23H22N4O2/c24-14-19-8-7-17(15-27-11-10-25-16-27)12-22(19)29-20-5-3-4-18(13-20)21-6-1-2-9-26-23(21)28/h3-5,7-8,10-13,16,21H,1-2,6,9,15H2,(H,26,28)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50130369
PNG
(4-((1H-imidazol-1-yl)methyl)-2-(3-(2-oxoazepan-3-y...)
Show SMILES O=C1NCCCCC1c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1
Show InChI InChI=1S/C23H22N4O2/c24-14-19-8-7-17(15-27-11-10-25-16-27)12-22(19)29-20-5-3-4-18(13-20)21-6-1-2-9-26-23(21)28/h3-5,7-8,10-13,16,21H,1-2,6,9,15H2,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair