BindingDB logo
myBDB logout

BDBM50177241 4-(3-bromo-8-chloro-6,11-dihydro-5-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-piperazine-1,2-dicarboxylicacid 1-(isobutyl-amide) 2-[(pyridin-3-ylmethyl)-amide]::CHEMBL370411

SMILES: CC(C)CNC(=O)N1CCN(CC1C(=O)NCc1cccnc1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12

InChI Key: InChIKey=MDBOTFRSILQXBP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50177241   
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))
BDBM50177241
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5-benzo[5,6]cyclo...)
Show SMILES CC(C)CNC(=O)N1CCN(CC1C(=O)NCc1cccnc1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C30H34BrClN6O2/c1-19(2)14-36-30(40)38-11-10-37(18-26(38)29(39)35-16-20-4-3-9-33-15-20)28-25-8-7-24(32)13-21(25)5-6-22-12-23(31)17-34-27(22)28/h3-4,7-9,12-13,15,17,19,26,28H,5-6,10-11,14,16,18H2,1-2H3,(H,35,39)(H,36,40)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against Ha-Ras processing in COS7 cells


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177241
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5-benzo[5,6]cyclo...)
Show SMILES CC(C)CNC(=O)N1CCN(CC1C(=O)NCc1cccnc1)C1c2ccc(Cl)cc2CCc2cc(Br)cnc12
Show InChI InChI=1S/C30H34BrClN6O2/c1-19(2)14-36-30(40)38-11-10-37(18-26(38)29(39)35-16-20-4-3-9-33-15-20)28-25-8-7-24(32)13-21(25)5-6-22-12-23(31)17-34-27(22)28/h3-4,7-9,12-13,15,17,19,26,28H,5-6,10-11,14,16,18H2,1-2H3,(H,35,39)(H,36,40)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase quantified by SPA assay


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair