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BDBM14457 (+)-4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo-[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-(4-pyridinylacetyl)-piperidine N1-Oxide::4-(2-{4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl]piperidin-1-yl}-2-oxoethyl)-1-oxidopyridin-1-ium::CHEMBL333864::Trihalobenzocycloheptapyridine Tricyclic Compound 11

SMILES: [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)cc1

InChI Key: InChIKey=UZMOGBCVDQWRFX-RUZDIDTESA-N

Data: 2 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 14457   
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) Chain B


(Homo sapiens (Human))
BDBM14457
PNG
((+)-4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)cc1 |r|
Show InChI InChI=1S/C26H24Br2ClN3O2/c27-20-12-19-2-1-18-13-21(29)14-22(28)24(18)25(26(19)30-15-20)17-5-7-31(8-6-17)23(33)11-16-3-9-32(34)10-4-16/h3-4,9-10,12-15,17,25H,1-2,5-8,11H2/t25-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val


J Med Chem 45: 3854-64 (2002)


BindingDB Entry DOI: 10.7270/Q2TD9WPB
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM14457
PNG
((+)-4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo...)
Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)cc1 |r|
Show InChI InChI=1S/C26H24Br2ClN3O2/c27-20-12-19-2-1-18-13-21(29)14-22(28)24(18)25(26(19)30-15-20)17-5-7-31(8-6-17)23(33)11-16-3-9-32(34)10-4-16/h3-4,9-10,12-15,17,25H,1-2,5-8,11H2/t25-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/a7.522



Schering-Plough Research Institute



Assay Description
FPT activity was determined by measuring transfer of [3H] farnesyl from [3H]farnesyl pyrophosphate to the substrate His6-Ha-Ras-CVLS. The incorporate...


J Med Chem 41: 4890-902 (1998)


Article DOI: 10.1021/jm980462b
BindingDB Entry DOI: 10.7270/Q2ZS2TRS
More data for this
Ligand-Target Pair