BindingDB logo
myBDB logout

BDBM50109870 4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-N-cyano-N'-(1-oxy-pyridin-3-ylmethyl)-piperidine-1-carboxamidine::CHEMBL348647

SMILES: [O-][n+]1cccc(CNC(=NC#N)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)c1

InChI Key: InChIKey=SCQNETOOVNYIJP-RUZDIDTESA-N

Data: 1 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 1 hit for monomerid = 50109870   
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))
BDBM50109870
PNG
(4-((R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo...)
Show SMILES [O-][n+]1cccc(CNC(=NC#N)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)c1 |w:9.9|
Show InChI InChI=1S/C27H25Br2ClN6O/c28-21-10-20-4-3-19-11-22(30)12-23(29)24(19)25(26(20)32-14-21)18-5-8-35(9-6-18)27(34-16-31)33-13-17-2-1-7-36(37)15-17/h1-2,7,10-12,14-15,18,25H,3-6,8-9,13H2,(H,33,34)/t25-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
FPT inhibitory activity was determined by the ability of the compound to inhibit the transfer of [3H]-farnesyl from farnesyl pyrophosphate to H-ras-C...


Bioorg Med Chem Lett 12: 601-5 (2002)


BindingDB Entry DOI: 10.7270/Q2FF3RPB
More data for this
Ligand-Target Pair