BDBM50076142 (S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-biphenyl-2-carbonyl]-amino}-4-methyl-pentanoic acid methyl ester::CHEMBL28325

SMILES: COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1

InChI Key: InChIKey=IENQPUVVSDIXCT-UTKZUKDTSA-N

Data: 4 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 4 hits for monomerid = 50076142   

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
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50076142 ((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1 Show InChI InChI=1S/C23H31N3O3S/c1-15(2)11-21(23(28)29-3)26-22(27)19-10-9-18(25-13-17(24)14-30)12-20(19)16-7-5-4-6-8-16/h4-10,12,15,17,21,25,30H,11,13-14,24H2,1-3H3,(H,26,27)/t17-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-GGPP incorporation into H-Ras-CVLL by Geranylgeranyl transferase type I				J Med Chem 42: 1333-40 (1999) Article DOI: 10.1021/jm9900873 BindingDB Entry DOI: 10.7270/Q28G8JW7
					More data for this Ligand-Target Pair
Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50076142 ((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1 Show InChI InChI=1S/C23H31N3O3S/c1-15(2)11-21(23(28)29-3)26-22(27)19-10-9-18(25-13-17(24)14-30)12-20(19)16-7-5-4-6-8-16/h4-10,12,15,17,21,25,30H,11,13-14,24H2,1-3H3,(H,26,27)/t17-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Inhibition of FTase (unknown origin) expressed in mouse NIH-3T3 cells cells transfected with human H-Ras assessed as decrease in farnesylation of H-R...				J Med Chem 61: 3239-3252 (2018) Article DOI: 10.1021/acs.jmedchem.6b01817 BindingDB Entry DOI: 10.7270/Q2542R5N
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50076142 ((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1 Show InChI InChI=1S/C23H31N3O3S/c1-15(2)11-21(23(28)29-3)26-22(27)19-10-9-18(25-13-17(24)14-30)12-20(19)16-7-5-4-6-8-16/h4-10,12,15,17,21,25,30H,11,13-14,24H2,1-3H3,(H,26,27)/t17-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Inhibition of GGTase1 (unknown origin) expressed in mouse NIH-3T3 cells transfected with k-Ras4B assessed as decrease in geranylgeranylation of k-Ras...				J Med Chem 61: 3239-3252 (2018) Article DOI: 10.1021/acs.jmedchem.6b01817 BindingDB Entry DOI: 10.7270/Q2542R5N
					More data for this Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B (Homo sapiens (Human))	BDBM50076142 ((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1 Show InChI InChI=1S/C23H31N3O3S/c1-15(2)11-21(23(28)29-3)26-22(27)19-10-9-18(25-13-17(24)14-30)12-20(19)16-7-5-4-6-8-16/h4-10,12,15,17,21,25,30H,11,13-14,24H2,1-3H3,(H,26,27)/t17-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-FPP incorporation into H-Ras-CVLS by Farnesyl transferase				J Med Chem 42: 1333-40 (1999) Article DOI: 10.1021/jm9900873 BindingDB Entry DOI: 10.7270/Q28G8JW7
					More data for this Ligand-Target Pair