A 3D similarity method for scaffold hopping from known drugs or natural ligands to new chemotypes

Journal of Medicinal Chemistry

Volumn 47, Issue 25, 2004, Pages 6144-6159

  Jenkins, Jeremy L ^a   Glick, Meir ^a   Davies, John W ^a  

^a NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

4 [5 (4 BROMOPHENYL) 3 TRIFLUOROMETHYL 1H PYRAZOL 1 YL]BENZENESULFONAMIDE; CYCLOOXYGENASE 2; DOPAMINE; DOPAMINE 2 RECEPTOR; IMATINIB; LIGAND; RETINOIC ACID; RETINOIC ACID RECEPTOR; RNA DIRECTED DNA POLYMERASE; SEROTONIN; SEROTONIN 3A; UNCLASSIFIED DRUG;

ANALYTIC METHOD; ARTICLE; AUTOMATION; DAYLIGHT FINGERPRINT; DRUG ACTIVITY; DRUG CONFORMATION; DRUG STRUCTURE; ENZYME ACTIVITY; FEATURE POINT PHARMACOPHORE; HIGH THROUGHPUT SCREENING; HUMAN IMMUNODEFICIENCY VIRUS; INTERMETHOD COMPARISON; MACCS FINGERPRINT; MOLECULAR MODEL; PHARMACOPHORE; PHARMACOPHORE DISTANCE TRIPLET; PIPELINE PILOT FINGERPRINT; PROTEIN TARGETING; TECHNIQUE;

CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITORS; CYCLOOXYGENASE INHIBITORS; HIV-1 REVERSE TRANSCRIPTASE; ISOENZYMES; LIGANDS; MOLECULAR CONFORMATION; PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, DOPAMINE D2; RECEPTORS, RETINOIC ACID; RECEPTORS, SEROTONIN, 5-HT3;

EID: 9744222830     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm049654z     Document Type: Article

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