| pubmed-article:18201065 | rdf:type | pubmed:Citation | lld:pubmed |
| pubmed-article:18201065 | lifeskim:mentions | umls-concept:C0248266 | lld:lifeskim |
| pubmed-article:18201065 | lifeskim:mentions | umls-concept:C0441655 | lld:lifeskim |
| pubmed-article:18201065 | lifeskim:mentions | umls-concept:C1521991 | lld:lifeskim |
| pubmed-article:18201065 | lifeskim:mentions | umls-concept:C0243076 | lld:lifeskim |
| pubmed-article:18201065 | lifeskim:mentions | umls-concept:C1552961 | lld:lifeskim |
| pubmed-article:18201065 | lifeskim:mentions | umls-concept:C1880371 | lld:lifeskim |
| pubmed-article:18201065 | lifeskim:mentions | umls-concept:C1521738 | lld:lifeskim |
| pubmed-article:18201065 | pubmed:issue | 3 | lld:pubmed |
| pubmed-article:18201065 | pubmed:dateCreated | 2008-2-7 | lld:pubmed |
| pubmed-article:18201065 | pubmed:abstractText | Cholecystokinin 2 receptor antagonists encompass a wide range of structures. This makes them unsuitable candidates for existing 3D-QSAR methods and has led us to develop an alternative approach to account for their observed biological activities. A diverse set of 21 antagonists was subjected to a novel molecular field-based similarity analysis. The hypothesis is that compounds with similar field patterns will bind at the same target site regardless of their underlying structure. This initial report demonstrates a linear correlation between ligand similarity and biological activity for this challenging data set. A model generated with three molecules was used to predict the activity of 18 test compounds, with different chemotypes, with a root-mean-square error of 0.68 pKB units. The ability to automatically derive a molecular alignment without knowledge of the protein structure represents an improvement over existing pharmacophore methods and makes the method particularly suitable for scaffold-hopping. | lld:pubmed |
| pubmed-article:18201065 | pubmed:language | eng | lld:pubmed |
| pubmed-article:18201065 | pubmed:journal | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201065 | pubmed:citationSubset | IM | lld:pubmed |
| pubmed-article:18201065 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201065 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201065 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201065 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201065 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201065 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201065 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201065 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:18201065 | pubmed:status | MEDLINE | lld:pubmed |
| pubmed-article:18201065 | pubmed:month | Feb | lld:pubmed |
| pubmed-article:18201065 | pubmed:issn | 0022-2623 | lld:pubmed |
| pubmed-article:18201065 | pubmed:author | pubmed-author:VinterJ GJG | lld:pubmed |
| pubmed-article:18201065 | pubmed:author | pubmed-author:LowCaroline... | lld:pubmed |
| pubmed-article:18201065 | pubmed:issnType | Print | lld:pubmed |
| pubmed-article:18201065 | pubmed:day | 14 | lld:pubmed |
| pubmed-article:18201065 | pubmed:volume | 51 | lld:pubmed |
| pubmed-article:18201065 | pubmed:owner | NLM | lld:pubmed |
| pubmed-article:18201065 | pubmed:authorsComplete | Y | lld:pubmed |
| pubmed-article:18201065 | pubmed:pagination | 565-73 | lld:pubmed |
| pubmed-article:18201065 | pubmed:dateRevised | 2010-11-18 | lld:pubmed |
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| pubmed-article:18201065 | pubmed:meshHeading | pubmed-meshheading:18201065... | lld:pubmed |
| pubmed-article:18201065 | pubmed:year | 2008 | lld:pubmed |
| pubmed-article:18201065 | pubmed:articleTitle | Rationalizing the activities of diverse cholecystokinin 2 receptor antagonists using molecular field points. | lld:pubmed |
| pubmed-article:18201065 | pubmed:affiliation | James Black Foundation, London, UK. c.low@imperial.ac.uk | lld:pubmed |
| pubmed-article:18201065 | pubmed:publicationType | Journal Article | lld:pubmed |
| pubmed-article:18201065 | pubmed:publicationType | In Vitro | lld:pubmed |
| pubmed-article:18201065 | pubmed:publicationType | Research Support, Non-U.S. Gov't | lld:pubmed |
| http://linkedlifedata.com/r... | http://linkedlifedata.com/r... | pubmed-article:18201065 | lld:chembl |
| http://linkedlifedata.com/r... | pubmed:referesTo | pubmed-article:18201065 | lld:pubmed |
