246 related articles for article (PubMed ID: 22269136)
1. Can we discover pharmacological promiscuity early in the drug discovery process?
Peters JU; Hert J; Bissantz C; Hillebrecht A; Gerebtzoff G; Bendels S; Tillier F; Migeon J; Fischer H; Guba W; Kansy M
Drug Discov Today; 2012 Apr; 17(7-8):325-35. PubMed ID: 22269136
[TBL] [Abstract][Full Text] [Related]
2. Pharmacological promiscuity: dependence on compound properties and target specificity in a set of recent Roche compounds.
Peters JU; Schnider P; Mattei P; Kansy M
ChemMedChem; 2009 Apr; 4(4):680-6. PubMed ID: 19266525
[TBL] [Abstract][Full Text] [Related]
3. Matched molecular pair analysis of small molecule microarray data identifies promiscuity cliffs and reveals molecular origins of extreme compound promiscuity.
Dimova D; Hu Y; Bajorath J
J Med Chem; 2012 Nov; 55(22):10220-8. PubMed ID: 23050678
[TBL] [Abstract][Full Text] [Related]
4. Activity profile relationships between structurally similar promiscuous compounds.
Hu Y; Bajorath J
Eur J Med Chem; 2013 Nov; 69():393-8. PubMed ID: 24077530
[TBL] [Abstract][Full Text] [Related]
5. Investigation of the relationship between topology and selectivity for druglike molecules.
Yang Y; Chen H; Nilsson I; Muresan S; Engkvist O
J Med Chem; 2010 Nov; 53(21):7709-14. PubMed ID: 20942392
[TBL] [Abstract][Full Text] [Related]
6. Modeling promiscuity based on in vitro safety pharmacology profiling data.
Azzaoui K; Hamon J; Faller B; Whitebread S; Jacoby E; Bender A; Jenkins JL; Urban L
ChemMedChem; 2007 Jun; 2(6):874-80. PubMed ID: 17492703
[TBL] [Abstract][Full Text] [Related]
7. Structural alert/reactive metabolite concept as applied in medicinal chemistry to mitigate the risk of idiosyncratic drug toxicity: a perspective based on the critical examination of trends in the top 200 drugs marketed in the United States.
Stepan AF; Walker DP; Bauman J; Price DA; Baillie TA; Kalgutkar AS; Aleo MD
Chem Res Toxicol; 2011 Sep; 24(9):1345-410. PubMed ID: 21702456
[TBL] [Abstract][Full Text] [Related]
8. Toward in silico structure-based ADMET prediction in drug discovery.
Moroy G; Martiny VY; Vayer P; Villoutreix BO; Miteva MA
Drug Discov Today; 2012 Jan; 17(1-2):44-55. PubMed ID: 22056716
[TBL] [Abstract][Full Text] [Related]
9. Biodiversity of small molecules--a new perspective in screening set selection.
Petrone PM; Wassermann AM; Lounkine E; Kutchukian P; Simms B; Jenkins J; Selzer P; Glick M
Drug Discov Today; 2013 Jul; 18(13-14):674-80. PubMed ID: 23454345
[TBL] [Abstract][Full Text] [Related]
10. Determining the Degree of Promiscuity of Extensively Assayed Compounds.
Jasial S; Hu Y; Bajorath J
PLoS One; 2016; 11(4):e0153873. PubMed ID: 27082988
[TBL] [Abstract][Full Text] [Related]
11. Compound promiscuity: what can we learn from current data?
Hu Y; Bajorath J
Drug Discov Today; 2013 Jul; 18(13-14):644-50. PubMed ID: 23524195
[TBL] [Abstract][Full Text] [Related]
12. Molecular clinical safety intelligence: a system for bridging clinically focused safety knowledge to early-stage drug discovery - the GSK experience.
Vanderwall DE; Yuen N; Al-Ansari M; Bailey J; Fram D; Green DV; Pickett S; Vitulli G; Luengo JI; Almenoff JS
Drug Discov Today; 2011 Aug; 16(15-16):646-53. PubMed ID: 21601652
[TBL] [Abstract][Full Text] [Related]
13. Early phase drug discovery: cheminformatics and computational techniques in identifying lead series.
Duffy BC; Zhu L; Decornez H; Kitchen DB
Bioorg Med Chem; 2012 Sep; 20(18):5324-42. PubMed ID: 22938785
[TBL] [Abstract][Full Text] [Related]
14. Rules for identifying potentially reactive or promiscuous compounds.
Bruns RF; Watson IA
J Med Chem; 2012 Nov; 55(22):9763-72. PubMed ID: 23061697
[TBL] [Abstract][Full Text] [Related]
15. Rational application of drug promiscuity in medicinal chemistry.
Mei Y; Yang B
Future Med Chem; 2018 Aug; 10(15):1835-1851. PubMed ID: 30019924
[TBL] [Abstract][Full Text] [Related]
16. Large-scale similarity search profiling of ChEMBL compound data sets.
Heikamp K; Bajorath J
J Chem Inf Model; 2011 Aug; 51(8):1831-9. PubMed ID: 21728295
[TBL] [Abstract][Full Text] [Related]
17. Chemogenomic analysis of safety profiling data.
Scheiber J; Jenkins JL
Methods Mol Biol; 2009; 575():207-23. PubMed ID: 19727617
[TBL] [Abstract][Full Text] [Related]
18. Improving drug candidates by design: a focus on physicochemical properties as a means of improving compound disposition and safety.
Meanwell NA
Chem Res Toxicol; 2011 Sep; 24(9):1420-56. PubMed ID: 21790149
[TBL] [Abstract][Full Text] [Related]
19. Promiscuity of in Vitro Secondary Pharmacology Assays and Implications for Lead Optimization Strategies.
Brown DG; Smith GF; Wobst HJ
J Med Chem; 2020 Jun; 63(12):6251-6275. PubMed ID: 31714773
[TBL] [Abstract][Full Text] [Related]
20. The value of in silico chemistry in the safety assessment of chemicals in the consumer goods and pharmaceutical industries.
Modi S; Hughes M; Garrow A; White A
Drug Discov Today; 2012 Feb; 17(3-4):135-42. PubMed ID: 22063083
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]