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BDBM13331 N-tert-butyl-2-({6-isocyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridine-2-)sulfonamido)acetamide::N1-(tert-butyl)-N2-{6-isocyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}-N2-(pyridin-2-ylsulfonyl)glycinamide::tetrahydroquinoline (THQ)-based inhibitor 4m

SMILES: Cn1cncc1CN1CC(Cc2cc(ccc12)[N+]#[C-])N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccn1

InChI Key: InChIKey=GZCBQVAEYLEZKD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 13331   
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


(Rattus norvegicus (rat))
BDBM13331
PNG
(N-tert-butyl-2-({6-isocyano-1-[(1-methyl-1H-imidaz...)
Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)[N+]#[C-])N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C26H31N7O3S/c1-26(2,3)30-24(34)17-33(37(35,36)25-8-6-7-11-29-25)21-13-19-12-20(27-4)9-10-23(19)32(15-21)16-22-14-28-18-31(22)5/h6-12,14,18,21H,13,15-17H2,1-3,5H3,(H,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



University of Washington at Seattle



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 48: 3704-13 (2005)


Article DOI: 10.1021/jm0491039
BindingDB Entry DOI: 10.7270/Q2BC3WSQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Plasmodium falciparum (malaria parasite P. falcipa...)
BDBM13331
PNG
(N-tert-butyl-2-({6-isocyano-1-[(1-methyl-1H-imidaz...)
Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)[N+]#[C-])N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C26H31N7O3S/c1-26(2,3)30-24(34)17-33(37(35,36)25-8-6-7-11-29-25)21-13-19-12-20(27-4)9-10-23(19)32(15-21)16-22-14-28-18-31(22)5/h6-12,14,18,21H,13,15-17H2,1-3,5H3,(H,30,34)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/a7.537



University of Washington at Seattle



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 48: 3704-13 (2005)


Article DOI: 10.1021/jm0491039
BindingDB Entry DOI: 10.7270/Q2BC3WSQ
More data for this
Ligand-Target Pair