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BDBM13313 N-Benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidazol-4-ylmethyl)amino]ethyl}benzenesulfonamide::N-benzyl-N-{2-[(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino]ethyl}benzenesulfonamide::Sulfonamide 12e

SMILES: Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(cc1)C#N

InChI Key: InChIKey=OHMYEZKFMQAYKQ-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 13313   
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)


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM13313
PNG
(N-Benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H27N5O2S/c1-30-22-29-19-26(30)21-31(25-14-12-23(18-28)13-15-25)16-17-32(20-24-8-4-2-5-9-24)35(33,34)27-10-6-3-7-11-27/h2-15,19,22H,16-17,20-21H2,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90n/an/an/an/a7.537



Yale University



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 5710-27 (2006)


Article DOI: 10.1021/jm060081v
BindingDB Entry DOI: 10.7270/Q2G44NJW
More data for this
Ligand-Target Pair
Protein farnesyltransferase


(Rattus norvegicus (rat))
BDBM13313
PNG
(N-Benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H27N5O2S/c1-30-22-29-19-26(30)21-31(25-14-12-23(18-28)13-15-25)16-17-32(20-24-8-4-2-5-9-24)35(33,34)27-10-6-3-7-11-27/h2-15,19,22H,16-17,20-21H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/a7.537



Yale University



Assay Description
Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal...


J Med Chem 49: 5710-27 (2006)


Article DOI: 10.1021/jm060081v
BindingDB Entry DOI: 10.7270/Q2G44NJW
More data for this
Ligand-Target Pair
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit


(Mus musculus)
BDBM13313
PNG
(N-Benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H27N5O2S/c1-30-22-29-19-26(30)21-31(25-14-12-23(18-28)13-15-25)16-17-32(20-24-8-4-2-5-9-24)35(33,34)27-10-6-3-7-11-27/h2-15,19,22H,16-17,20-21H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type 1


(Mus musculus)
BDBM13313
PNG
(N-Benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H27N5O2S/c1-30-22-29-19-26(30)21-31(25-14-12-23(18-28)13-15-25)16-17-32(20-24-8-4-2-5-9-24)35(33,34)27-10-6-3-7-11-27/h2-15,19,22H,16-17,20-21H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM13313
PNG
(N-Benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H27N5O2S/c1-30-22-29-19-26(30)21-31(25-14-12-23(18-28)13-15-25)16-17-32(20-24-8-4-2-5-9-24)35(33,34)27-10-6-3-7-11-27/h2-15,19,22H,16-17,20-21H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human geranylgeranyltransferase-1 assessed as incorporation of [3H]GGPP into H-Ras-CVLL


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM13313
PNG
(N-Benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidaz...)
Show SMILES Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C27H27N5O2S/c1-30-22-29-19-26(30)21-31(25-14-12-23(18-28)13-15-25)16-17-32(20-24-8-4-2-5-9-24)35(33,34)27-10-6-3-7-11-27/h2-15,19,22H,16-17,20-21H2,1H3
PDB
MMDB

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

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



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS


J Med Chem 53: 6867-88 (2010)


Article DOI: 10.1021/jm1001748
BindingDB Entry DOI: 10.7270/Q26110JC
More data for this
Ligand-Target Pair