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Expanding GPCR homology model binding sites via a balloon potential: A molecular dynamics refinement approach

Proteins, structure, function, and bioinformatics, 2008-06, Vol.71 (4), p.1919-1929

2008

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Macrocycle Conformational Sampling with MacroModel

Journal of chemical information and modeling, 2014-10, Vol.54 (10), p.2680-2696

2014

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Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton’s Tyrosine Kinase (BTK)

Journal of medicinal chemistry, 2019-04, Vol.62 (7), p.3228-3250

2019

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Discovery of Disubstituted Cyclohexanes as a New Class of CC Chemokine Receptor 2 Antagonists

Journal of medicinal chemistry, 2008-02, Vol.51 (4), p.721-724

2008

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Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNFα Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches

Journal of medicinal chemistry, 2020-12, Vol.63 (23), p.15050-15071

2020

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Discovery of the Selective CYP17A1 Lyase Inhibitor BMS-351 for the Treatment of Prostate Cancer

ACS medicinal chemistry letters, 2016-01, Vol.7 (1), p.40-45

2016

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BMS-813160: A Potent CCR2 and CCR5 Dual Antagonist Selected as a Clinical Candidate

ACS medicinal chemistry letters, 2021-11, Vol.12 (11), p.1753-1758

2021

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Heterobicyclic inhibitors of transforming growth factor beta receptor I (TGFβRI)

Bioorganic & medicinal chemistry, 2018-03, Vol.26 (5), p.1026-1034

2018

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Small Molecule Reversible Inhibitors of Bruton’s Tyrosine Kinase (BTK): Structure–Activity Relationships Leading to the Identification of 7‑(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]‑9H‑carbazole-1-carboxamide (BMS-935177)

Journal of medicinal chemistry, 2016-09, Vol.59 (17), p.7915-7935

2016

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Crystal structures of apo and inhibitor-bound TGFβR2 kinase domain: insights into TGFβR isoform selectivity

Acta crystallographica. Section D, Structural biology, 2016-05, Vol.72 (5), p.658-674

2016

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Discovery of a small molecule antagonist of the parathyroid hormone receptor by using an N-terminal parathyroid hormone peptide probe

Proceedings of the National Academy of Sciences - PNAS, 2007-04, Vol.104 (16), p.6846-6851

2007

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Discovery and Structure–Activity Relationship (SAR) of a Series of Ethanolamine-Based Direct-Acting Agonists of Sphingosine-1-phosphate (S1P1)

Journal of medicinal chemistry, 2016-07, Vol.59 (13), p.6248-6264

2016

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Design and synthesis of carbazole carboxamides as promising inhibitors of Bruton’s tyrosine kinase (BTK) and Janus kinase 2 (JAK2)

Bioorganic & medicinal chemistry letters, 2015-10, Vol.25 (19), p.4265-4269

2015

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Macrocyclic pyrrolobenzodiazepine dimers as antibody-drug conjugate payloads

Bioorganic & medicinal chemistry letters, 2017-12, Vol.27 (23), p.5267-5271

2017

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Discovery of 4‑Azaindole Inhibitors of TGFβRI as Immuno-oncology Agents

ACS medicinal chemistry letters, 2018-11, Vol.9 (11), p.1117-1122

2018

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Are Target-Family-Privileged Substructures Truly Privileged?

Journal of medicinal chemistry, 2006-03, Vol.49 (6), p.2000-2009

2006

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Discovery of the CCR1 Antagonist, BMS-817399, for the Treatment of Rheumatoid Arthritis

Journal of medicinal chemistry, 2014-09, Vol.57 (18), p.7550-7564

2014

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Acyl Guanidine Inhibitors of β‑Secretase (BACE-1): Optimization of a Micromolar Hit to a Nanomolar Lead via Iterative Solid- and Solution-Phase Library Synthesis

Journal of medicinal chemistry, 2012-11, Vol.55 (21), p.9208-9223

2012

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Discovery of BMS-753426: A Potent Orally Bioavailable Antagonist of CC Chemokine Receptor 2

ACS medicinal chemistry letters, 2021-06, Vol.12 (6), p.969-975

2021

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Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR

Journal of molecular biology, 2015-02, Vol.427 (4), p.924-942

2015

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Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672

ACS medicinal chemistry letters, 2019-03, Vol.10 (3), p.300-305

2019

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Discovery and Lead Optimization of a Novel Series of CC Chemokine Receptor 1 (CCR1)-Selective Piperidine Antagonists via Parallel Synthesis

Journal of medicinal chemistry, 2012-11, Vol.55 (22), p.9643-9653

2012

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Novel two-step, one-pot synthesis of primary acylureas

Tetrahedron letters, 2010-11, Vol.51 (44), p.5843-5844

2010

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Small Molecule Antagonist of Leukocyte Function Associated Antigen-1 (LFA-1): Structure−Activity Relationships Leading to the Identification of 6-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic Acid (BMS-688521)

Journal of medicinal chemistry, 2010-05, Vol.53 (9), p.3814-3830

2010

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Expanding GPCR homology model binding sites via a balloon potential: A molecular dynamics refinement approach

Macrocycle Conformational Sampling with MacroModel

Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton’s Tyrosine Kinase (BTK)

Discovery of Disubstituted Cyclohexanes as a New Class of CC Chemokine Receptor 2 Antagonists

Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNFα Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches

Discovery of the Selective CYP17A1 Lyase Inhibitor BMS-351 for the Treatment of Prostate Cancer

BMS-813160: A Potent CCR2 and CCR5 Dual Antagonist Selected as a Clinical Candidate

Heterobicyclic inhibitors of transforming growth factor beta receptor I (TGFβRI)

Small Molecule Reversible Inhibitors of Bruton’s Tyrosine Kinase (BTK): Structure–Activity Relationships Leading to the Identification of 7‑(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]‑9H‑carbazole-1-carboxamide (BMS-935177)

Crystal structures of apo and inhibitor-bound TGFβR2 kinase domain: insights into TGFβR isoform selectivity

Discovery of a small molecule antagonist of the parathyroid hormone receptor by using an N-terminal parathyroid hormone peptide probe

Discovery and Structure–Activity Relationship (SAR) of a Series of Ethanolamine-Based Direct-Acting Agonists of Sphingosine-1-phosphate (S1P1)

Design and synthesis of carbazole carboxamides as promising inhibitors of Bruton’s tyrosine kinase (BTK) and Janus kinase 2 (JAK2)

Macrocyclic pyrrolobenzodiazepine dimers as antibody-drug conjugate payloads

Discovery of 4‑Azaindole Inhibitors of TGFβRI as Immuno-oncology Agents

Are Target-Family-Privileged Substructures Truly Privileged?

Discovery of the CCR1 Antagonist, BMS-817399, for the Treatment of Rheumatoid Arthritis

Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGFβR1 Inhibitor as an Immuno-oncology Agent

Acyl Guanidine Inhibitors of β‑Secretase (BACE-1): Optimization of a Micromolar Hit to a Nanomolar Lead via Iterative Solid- and Solution-Phase Library Synthesis

Discovery of BMS-753426: A Potent Orally Bioavailable Antagonist of CC Chemokine Receptor 2

Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR

Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672

Discovery and Lead Optimization of a Novel Series of CC Chemokine Receptor 1 (CCR1)-Selective Piperidine Antagonists via Parallel Synthesis

Novel two-step, one-pot synthesis of primary acylureas

Small Molecule Antagonist of Leukocyte Function Associated Antigen-1 (LFA-1): Structure−Activity Relationships Leading to the Identification of 6-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic Acid (BMS-688521)

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