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BDBM50079968 (S)-2-{2-[((S)-2-{2-[3-(4-Methoxy-benzyl)-3H-imidazol-4-yl]-acetylamino}-3-methyl-pentyl)-naphthalen-1-ylmethyl-amino]-acetylamino}-4-methylsulfanyl-butyric acid::CHEMBL114739

SMILES: CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(OC)cc1

InChI Key: InChIKey=FWWJGHORTZMPHN-QTSVPKBSSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50079968   
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)


(Homo sapiens (Human))
BDBM50079968
PNG
((S)-2-{2-[((S)-2-{2-[3-(4-Methoxy-benzyl)-3H-imida...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(OC)cc1
Show InChI InChI=1S/C37H47N5O5S/c1-5-26(2)34(40-35(43)19-30-20-38-25-42(30)21-27-13-15-31(47-3)16-14-27)23-41(24-36(44)39-33(37(45)46)17-18-48-4)22-29-11-8-10-28-9-6-7-12-32(28)29/h6-16,20,25-26,33-34H,5,17-19,21-24H2,1-4H3,(H,39,44)(H,40,43)(H,45,46)/t26?,33-,34+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 0.550n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50079968
PNG
((S)-2-{2-[((S)-2-{2-[3-(4-Methoxy-benzyl)-3H-imida...)
Show SMILES CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(OC)cc1
Show InChI InChI=1S/C37H47N5O5S/c1-5-26(2)34(40-35(43)19-30-20-38-25-42(30)21-27-13-15-31(47-3)16-14-27)23-41(24-36(44)39-33(37(45)46)17-18-48-4)22-29-11-8-10-28-9-6-7-12-32(28)29/h6-16,20,25-26,33-34H,5,17-19,21-24H2,1-4H3,(H,39,44)(H,40,43)(H,45,46)/t26?,33-,34+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain


J Med Chem 42: 3356-68 (1999)


Article DOI: 10.1021/jm990080l
BindingDB Entry DOI: 10.7270/Q27P9020
More data for this
Ligand-Target Pair