BDBM50048970 (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-methanesulfonyl-butyric acid::CHEMBL73862
SMILES: CC(C)(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCS(C)(=O)=O)C(O)=O
InChI Key: InChIKey=SHPJZFRGYYTFJF-YSTOQKLRSA-N
Data: 2 IC50
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)) | BDBM50048970 ((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 14 | 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 | |||||||||||||
Protein Farnesyltransferase (PFT) Chain B (Homo sapiens (Human)) | BDBM50048970 ((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.460 | 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 |