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BDBM50051826 CHEMBL27486::[(S)-4-((R)-2-Amino-3-mercapto-propyl)-3-butyl-piperazin-1-yl]-naphthalen-1-yl-methanone::[4-((R)-2-Amino-3-mercapto-propyl)-3-butyl-piperazin-1-yl]-naphthalen-1-yl-methanone

SMILES: CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12

InChI Key: InChIKey=BICXECMCJCNEDG-MOPGFXCFSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50051826   
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 (GGTase-I)


(Bos taurus (bovine))
BDBM50051826
PNG
(CHEMBL27486 | [(S)-4-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H31N3OS/c1-2-3-9-19-15-25(13-12-24(19)14-18(23)16-27)22(26)21-11-6-8-17-7-4-5-10-20(17)21/h4-8,10-11,18-19,27H,2-3,9,12-16,23H2,1H3/t18-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50051826
PNG
(CHEMBL27486 | [(S)-4-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H31N3OS/c1-2-3-9-19-15-25(13-12-24(19)14-18(23)16-27)22(26)21-11-6-8-17-7-4-5-10-20(17)21/h4-8,10-11,18-19,27H,2-3,9,12-16,23H2,1H3/t18-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against farnesyltransferase was determined


J Med Chem 47: 1869-78 (2004)


Article DOI: 10.1021/jm0305467
BindingDB Entry DOI: 10.7270/Q2RX9CVX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50051826
PNG
(CHEMBL27486 | [(S)-4-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H31N3OS/c1-2-3-9-19-15-25(13-12-24(19)14-18(23)16-27)22(26)21-11-6-8-17-7-4-5-10-20(17)21/h4-8,10-11,18-19,27H,2-3,9,12-16,23H2,1H3/t18-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of post-traslational processing of Ras protein in RAT1 cell line


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50051826
PNG
(CHEMBL27486 | [(S)-4-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H31N3OS/c1-2-3-9-19-15-25(13-12-24(19)14-18(23)16-27)22(26)21-11-6-8-17-7-4-5-10-20(17)21/h4-8,10-11,18-19,27H,2-3,9,12-16,23H2,1H3/t18-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into Ha-Ras by Farnesyltransferase


J Med Chem 39: 1345-8 (1996)


Article DOI: 10.1021/jm9508090
BindingDB Entry DOI: 10.7270/Q2B8576Z
More data for this
Ligand-Target Pair