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BDBM50112372 17-(5,5,5-trifluoro-1-pentynyl)-19-oxa-2,5,10,12-tetraazahexacyclo[18.6.2.22,5.114,18.08,12.023,27]hentriaconta-1(27),8,10,14(31),15,17,20(28),21,23,25-decaen-3-one::CHEMBL283369

SMILES: FC(F)(F)CCC#Cc1ccc2Cn3cncc3CCN3CCN(C(=O)C3)c3cccc4ccc(Oc1c2)cc34

InChI Key: InChIKey=HZUKRNKCJCVHQD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50112372   
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
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50112372
PNG
(17-(5,5,5-trifluoro-1-pentynyl)-19-oxa-2,5,10,12-t...)
Show SMILES FC(F)(F)CCC#Cc1ccc2Cn3cncc3CCN3CCN(C(=O)C3)c3cccc4ccc(Oc1c2)cc34
Show InChI InChI=1S/C31H27F3N4O2/c32-31(33,34)12-2-1-4-24-8-7-22-16-29(24)40-26-10-9-23-5-3-6-28(27(23)17-26)38-15-14-36(20-30(38)39)13-11-25-18-35-21-37(25)19-22/h3,5-10,16-18,21H,2,11-15,19-20H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 12: 1269-73 (2002)


BindingDB Entry DOI: 10.7270/Q2T72GSB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50112372
PNG
(17-(5,5,5-trifluoro-1-pentynyl)-19-oxa-2,5,10,12-t...)
Show SMILES FC(F)(F)CCC#Cc1ccc2Cn3cncc3CCN3CCN(C(=O)C3)c3cccc4ccc(Oc1c2)cc34
Show InChI InChI=1S/C31H27F3N4O2/c32-31(33,34)12-2-1-4-24-8-7-22-16-29(24)40-26-10-9-23-5-3-6-28(27(23)17-26)38-15-14-36(20-30(38)39)13-11-25-18-35-21-37(25)19-22/h3,5-10,16-18,21H,2,11-15,19-20H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.810n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.


Bioorg Med Chem Lett 12: 1269-73 (2002)


BindingDB Entry DOI: 10.7270/Q2T72GSB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50112372
PNG
(17-(5,5,5-trifluoro-1-pentynyl)-19-oxa-2,5,10,12-t...)
Show SMILES FC(F)(F)CCC#Cc1ccc2Cn3cncc3CCN3CCN(C(=O)C3)c3cccc4ccc(Oc1c2)cc34
Show InChI InChI=1S/C31H27F3N4O2/c32-31(33,34)12-2-1-4-24-8-7-22-16-29(24)40-26-10-9-23-5-3-6-28(27(23)17-26)38-15-14-36(20-30(38)39)13-11-25-18-35-21-37(25)19-22/h3,5-10,16-18,21H,2,11-15,19-20H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled FTI from Farnesyltransferase in v-Ha-ras-transformed Rat1 cells.


Bioorg Med Chem Lett 12: 1269-73 (2002)


BindingDB Entry DOI: 10.7270/Q2T72GSB
More data for this
Ligand-Target Pair