BDBM50048982 (R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propionylamino)-3-methyl-butyl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-4-methylsulfanyl-butyric acid::CHEMBL76139

SMILES: CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C[C@H](NC(=O)[C@H](N)CS)C(C)C)C(O)=O

InChI Key: InChIKey=KWJJDZYGKXQTJC-YSTOQKLRSA-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 = 50048982   

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) Chain B (Homo sapiens (Human))	BDBM50048982 ((R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propi...) Show SMILES CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C[C@H](NC(=O)[C@H](N)CS)C(C)C)C(O)=O Show InChI InChI=1S/C23H36N4O4S2/c1-14(2)19(26-21(28)17(24)13-32)12-27-11-16-7-5-4-6-15(16)10-20(27)22(29)25-18(23(30)31)8-9-33-3/h4-7,14,17-20,32H,8-13,24H2,1-3H3,(H,25,29)(H,26,28)(H,30,31)/t17-,18-,19+,20-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Farnesyltransferase				J Med Chem 39: 224-36 (1996) Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS
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