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BDBM50071704 4-{2-[4-(8-Chloro-5,11-dihydro-10-thia-4-aza-dibenzo[a,d]cyclohepten-5-yl)-piperazin-1-yl]-2-oxo-ethyl}-piperidine-1-carboxylic acid amide::CHEMBL85663

SMILES: NC(=O)N1CCC(CC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3SCc3cccnc23)CC1

InChI Key: InChIKey=MPAJJFCONLAFJJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50071704   
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))
BDBM50071704
PNG
(4-{2-[4-(8-Chloro-5,11-dihydro-10-thia-4-aza-diben...)
Show SMILES NC(=O)N1CCC(CC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3SCc3cccnc23)CC1
Show InChI InChI=1S/C25H30ClN5O2S/c26-19-3-4-20-21(15-19)34-16-18-2-1-7-28-23(18)24(20)30-12-10-29(11-13-30)22(32)14-17-5-8-31(9-6-17)25(27)33/h1-4,7,15,17,24H,5-6,8-14,16H2,(H2,27,33)
PDB
MMDB

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PubMed
n/an/a 1.12E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro FPT potency by measuring the ability to inhibit the transfer of [3H]-farnesyl from farnesyl pyrophosphate to H-Ras-CLVS.


Bioorg Med Chem Lett 8: 2521-6 (1999)


BindingDB Entry DOI: 10.7270/Q24M93PP
More data for this
Ligand-Target Pair