BDBM50055594 (S)-2-[(R)-2-{(R)-3-Benzyloxy-2-[(R)-2-[(R)-2-benzyloxycarbonylamino-3-(1H-imidazol-4-yl)-propionylamino]-3-(4-benzyloxy-phenyl)-propionylamino]-propionylamino}-3-(1H-indol-3-yl)-propionylamino]-propionic acid methyl ester::CHEMBL266034

SMILES: COC(=O)[C@H](C)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)OCc1ccccc1

InChI Key: InChIKey=MBFTYLZHXRVPAZ-RYARECKASA-N

Data: 1 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 1 hit for monomerid = 50055594   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50055594 ((S)-2-[(R)-2-{(R)-3-Benzyloxy-2-[(R)-2-[(R)-2-benz...) Show SMILES COC(=O)[C@H](C)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)OCc1ccccc1 Show InChI InChI=1S/C55H58N8O10/c1-36(54(68)70-2)59-50(64)47(27-41-29-57-45-21-13-12-20-44(41)45)61-53(67)49(34-71-31-38-14-6-3-7-15-38)62-51(65)46(26-37-22-24-43(25-23-37)72-32-39-16-8-4-9-17-39)60-52(66)48(28-42-30-56-35-58-42)63-55(69)73-33-40-18-10-5-11-19-40/h3-25,29-30,35-36,46-49,57H,26-28,31-34H2,1-2H3,(H,56,58)(H,59,64)(H,60,66)(H,61,67)(H,62,65)(H,63,69)/t36-,46+,47+,48+,49+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/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
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