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BDBM13308 N-benzyl-N-(2-{(4-bromophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1H-imidazole-4-sulfonamide::N-benzyl-N-{2-[(4-bromophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino]ethyl}-1-methyl-1H-imidazole-4-sulfonamide::Sulfonamide 12b

SMILES: Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccc1

InChI Key: InChIKey=IJCDWDJDJPZXSX-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 = 13308   
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...)
BDBM13308
PNG
(N-benzyl-N-(2-{(4-bromophenyl)[(1-methyl-1H-imidaz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C24H27BrN6O2S/c1-28-17-24(27-19-28)34(32,33)31(15-20-6-4-3-5-7-20)13-12-30(16-23-14-26-18-29(23)2)22-10-8-21(25)9-11-22/h3-11,14,17-19H,12-13,15-16H2,1-2H3
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UniProtKB/TrEMBL

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PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/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))
BDBM13308
PNG
(N-benzyl-N-(2-{(4-bromophenyl)[(1-methyl-1H-imidaz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C24H27BrN6O2S/c1-28-17-24(27-19-28)34(32,33)31(15-20-6-4-3-5-7-20)13-12-30(16-23-14-26-18-29(23)2)22-10-8-21(25)9-11-22/h3-11,14,17-19H,12-13,15-16H2,1-2H3
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PC sid
UniChem

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Article
PubMed
n/an/a 290n/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)
BDBM13308
PNG
(N-benzyl-N-(2-{(4-bromophenyl)[(1-methyl-1H-imidaz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C24H27BrN6O2S/c1-28-17-24(27-19-28)34(32,33)31(15-20-6-4-3-5-7-20)13-12-30(16-23-14-26-18-29(23)2)22-10-8-21(25)9-11-22/h3-11,14,17-19H,12-13,15-16H2,1-2H3
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Article
PubMed
n/an/a 1.60E+3n/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)
BDBM13308
PNG
(N-benzyl-N-(2-{(4-bromophenyl)[(1-methyl-1H-imidaz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C24H27BrN6O2S/c1-28-17-24(27-19-28)34(32,33)31(15-20-6-4-3-5-7-20)13-12-30(16-23-14-26-18-29(23)2)22-10-8-21(25)9-11-22/h3-11,14,17-19H,12-13,15-16H2,1-2H3
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UniChem

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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))
BDBM13308
PNG
(N-benzyl-N-(2-{(4-bromophenyl)[(1-methyl-1H-imidaz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C24H27BrN6O2S/c1-28-17-24(27-19-28)34(32,33)31(15-20-6-4-3-5-7-20)13-12-30(16-23-14-26-18-29(23)2)22-10-8-21(25)9-11-22/h3-11,14,17-19H,12-13,15-16H2,1-2H3
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 530n/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))
BDBM13308
PNG
(N-benzyl-N-(2-{(4-bromophenyl)[(1-methyl-1H-imidaz...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccc1
Show InChI InChI=1S/C24H27BrN6O2S/c1-28-17-24(27-19-28)34(32,33)31(15-20-6-4-3-5-7-20)13-12-30(16-23-14-26-18-29(23)2)22-10-8-21(25)9-11-22/h3-11,14,17-19H,12-13,15-16H2,1-2H3
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 79n/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