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BDBM50117938 (+)4-(2-{4-[1-butyl-4-chloro-(12R)-3,6,7,12-tetrahydropyrido[2',3':4,5]cyclohepta[e]indol-12-yl]hexahydro-1-pyridinyl}-2-oxoethyl)-1-pyridiniumolate::(-)4-(2-{4-[1-butyl-4-chloro-(12R)-3,6,7,12-tetrahydropyrido[2',3':4,5]cyclohepta[e]indol-12-yl]hexahydro-1-pyridinyl}-2-oxoethyl)-1-pyridiniumolate::CHEMBL126423

SMILES: CCCCc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12

InChI Key: InChIKey=MRUHZKKIIBJWLF-GDLZYMKVSA-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 = 50117938   
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))
BDBM50117938
PNG
((+)4-(2-{4-[1-butyl-4-chloro-(12R)-3,6,7,12-tetrah...)
Show SMILES CCCCc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12
Show InChI InChI=1S/C32H35ClN4O2/c1-2-3-5-25-20-35-32-26(33)19-24-8-7-23-6-4-13-34-31(23)29(28(24)30(25)32)22-11-14-36(15-12-22)27(38)18-21-9-16-37(39)17-10-21/h4,6,9-10,13,16-17,19-20,22,29,35H,2-3,5,7-8,11-12,14-15,18H2,1H3/t29-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>180n/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) Chain B


(Homo sapiens (Human))
BDBM50117938
PNG
((+)4-(2-{4-[1-butyl-4-chloro-(12R)-3,6,7,12-tetrah...)
Show SMILES CCCCc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12
Show InChI InChI=1S/C32H35ClN4O2/c1-2-3-5-25-20-35-32-26(33)19-24-8-7-23-6-4-13-34-31(23)29(28(24)30(25)32)22-11-14-36(15-12-22)27(38)18-21-9-16-37(39)17-10-21/h4,6,9-10,13,16-17,19-20,22,29,35H,2-3,5,7-8,11-12,14-15,18H2,1H3/t29-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 69n/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