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BDBM50370231 CHEMBL1907916

SMILES: CC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1

InChI Key: InChIKey=KMNYYAJYASNHCC-SANMLTNESA-N

Data: 2 IC50

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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 = 50370231   
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
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50370231
PNG
(CHEMBL1907916)
Show SMILES CC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1 |r|
Show InChI InChI=1S/C26H28N4O2/c1-3-26(11-4-5-13-29(2)25(26)31)22-7-6-8-23(16-22)32-24-15-20(9-10-21(24)17-27)18-30-14-12-28-19-30/h6-10,12,14-16,19H,3-5,11,13,18H2,1-2H3/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminu...


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50370231
PNG
(CHEMBL1907916)
Show SMILES CC[C@]1(CCCCN(C)C1=O)c1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1 |r|
Show InChI InChI=1S/C26H28N4O2/c1-3-26(11-4-5-13-29(2)25(26)31)22-7-6-8-23(16-22)32-24-15-20(9-10-21(24)17-27)18-30-14-12-28-19-30/h6-10,12,14-16,19H,3-5,11,13,18H2,1-2H3/t26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.


J Med Chem 46: 2973-84 (2003)


Article DOI: 10.1021/jm020587n
BindingDB Entry DOI: 10.7270/Q26Q1Z0P
More data for this
Ligand-Target Pair