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BDBM50055596 CHEMBL216183::[(R)-1-[(R)-1-{(R)-2-Benzyloxy-1-[(R)-1-((S)-1-carbamoyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-ethylcarbamoyl}-2-(4-benzyloxy-phenyl)-ethylcarbamoyl]-2-(1H-imidazol-4-yl)-ethyl]-carbamic acid 9H-fluoren-9-ylmethyl ester

SMILES: C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(N)=O

InChI Key: InChIKey=XEDIWPAEFVYEGG-LCXKGDCDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50055596   
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)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50055596
PNG
(CHEMBL216183 | [(R)-1-[(R)-1-{(R)-2-Benzyloxy-1-[(...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc12)C(N)=O
Show InChI InChI=1S/C61H61N9O9/c1-38(56(62)71)66-57(72)53(29-42-31-64-51-23-13-12-18-45(42)51)68-60(75)55(36-77-33-40-14-4-2-5-15-40)69-58(73)52(28-39-24-26-44(27-25-39)78-34-41-16-6-3-7-17-41)67-59(74)54(30-43-32-63-37-65-43)70-61(76)79-35-50-48-21-10-8-19-46(48)47-20-9-11-22-49(47)50/h2-27,31-32,37-38,50,52-55,64H,28-30,33-36H2,1H3,(H2,62,71)(H,63,65)(H,66,72)(H,67,74)(H,68,75)(H,69,73)(H,70,76)/t38-,52+,53+,54+,55+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain farnesyltransferase

J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair