BDBM50048962 (R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propylamino)-3,3-dimethyl-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-4-methylsulfanyl-butyric acid methyl ester::CHEMBL75237

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

InChI Key: InChIKey=VSJRZQRFGNBQRA-MXEMCNAFSA-N

Data: 2 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 2 hits for monomerid = 50048962   

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))	BDBM50048962 ((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...) Show SMILES COC(=O)[C@@H](CCSC)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C Show InChI InChI=1S/C25H40N4O4S2/c1-25(2,3)21(27-13-18(26)15-34)23(31)29-14-17-9-7-6-8-16(17)12-20(29)22(30)28-19(10-11-35-5)24(32)33-4/h6-9,18-21,27,34H,10-15,26H2,1-5H3,(H,28,30)/t18-,19-,20+,21-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	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
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50048962 ((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...) Show SMILES COC(=O)[C@@H](CCSC)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C Show InChI InChI=1S/C25H40N4O4S2/c1-25(2,3)21(27-13-18(26)15-34)23(31)29-14-17-9-7-6-8-16(17)12-20(29)22(30)28-19(10-11-35-5)24(32)33-4/h6-9,18-21,27,34H,10-15,26H2,1-5H3,(H,28,30)/t18-,19-,20+,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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 inhibition of Geranylgeranyl transferase type I				J Med Chem 39: 224-36 (1996) Article DOI: 10.1021/jm950642a BindingDB Entry DOI: 10.7270/Q2610ZDS
					More data for this Ligand-Target Pair