cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2jh3q7q
title: BindingDB Entry 9390: Compounds, process for obtaining the compounds, pharmaceutical composition, use of the compounds and method for treating psychiatric disorders and/or sleep disorders

description: Small molecule binding data for protein Melatonin receptor type 1A and Metallothionein-2, Uniprot P02795 and P48039
DOI: 10.7270/q2jh3q85
title: BindingDB Entry 9568: Biaryl urea derivative or salt thereof and preparation process and use for the same

description: Small molecule binding data for protein Nuclear receptor ROR-gamma, Uniprot P51449
DOI: 10.7270/q2jh3q9m
title: BindingDB Entry 9777: Sigma receptor binders

description: Small molecule binding data for protein Sigma intracellular receptor 2 and Sigma non-opioid intracellular receptor 1, Uniprot Q5BJF2 and Q99720
DOI: 10.7270/q2jh3qb2
title: BindingDB Entry 10164: Bicyclic compound and use thereof

description: Small molecule binding data for protein Protein arginine N-methyltransferase 5, Uniprot O14744
DOI: 10.7270/q2jh3qch
title: BindingDB Entry 10551: Substituted tetrahydropyran dihydrothienopyrimidines and their use as phosphodiesterase inhibitors

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4D [380-741], Uniprot Q08499
DOI: 10.7270/q2jh3qdz
title: BindingDB Entry 50004278: Anti-metastatic Inhibitors of Lysyl Oxidase (LOX): Design and Structure-Activity Relationships.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Lysyl oxidase homolog 2, and Membrane primary amine oxidase, Uniprot P21397, P27338, P40989, Q16853, and Q9Y4K0
DOI: 10.7270/q2jh3qfd
title: BindingDB Entry 50006974: Synthesis and Biological Studies of (+)-Liquiditerpenoic Acid A (Abietopinoic Acid) and Representative Analogues: SAR Studies.

description: Small molecule binding data for protein Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2, Uniprot P14867, P18507, and P47870
DOI: 10.7270/q2jh3qgv
title: BindingDB Entry 50007236: Antitumoral activity of quinoxaline derivatives: A systematic review.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1 and Vascular endothelial growth factor receptor 2, Uniprot P11362 and P35968
DOI: 10.6084/m9.figshare.22178612.v1
title: ERBC telemetry database 24 drugs V2.3

description: This new version of the ERBC telemetry database includes analysis of telemetry data for 24 drugs including 15 torsadogenic drugs This database reports drug-induced cardiovascular effects on blood pressure (abdominal aortic pressure), heart rate, QT and QTc interval, PQ interval. It also includes modelling data of haemodynamic effects on central aortic pressure, stroke volume, cardiac output and systemic vascular resistances (AUCsys model) and modelling of effects on the autonomic nervous system (HFAM model). Compared to V2.2, this new version V2.3 includes drugs effects on abdominal and central aortic pressure.
DOI: 10.7270/q2jh3qh9
title: BindingDB Entry 50007584: Design, synthesis and biological evaluation of novel aryl-acrylic derivatives as novel indoleamine-2,3-dioxygenase 1 (IDO1) inhibitors.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.6084/m9.figshare.22178612
title: ERBC telemetry database 24 drugs V2.3

description: This new version of the ERBC telemetry database includes analysis of telemetry data for 24 drugs including 15 torsadogenic drugs This database reports drug-induced cardiovascular effects on blood pressure (abdominal aortic pressure), heart rate, QT and QTc interval, PQ interval. It also includes modelling data of haemodynamic effects on central aortic pressure, stroke volume, cardiac output and systemic vascular resistances (AUCsys model) and modelling of effects on the autonomic nervous system (HFAM model). Compared to V2.2, this new version V2.3 includes drugs effects on abdominal and central aortic pressure.
DOI: 10.7270/q2jh3qjr
title: BindingDB Entry 50007852: Identification of Diketopiperazine-Containing 2-Anilinobenzamides as Potent Sirtuin 2 (SIRT2)-Selective Inhibitors Targeting the "Selectivity Pocket", Substrate-Binding Site, and NAD

description: Small molecule binding data for protein NAD-dependent protein deacetylase sirtuin-1, NAD-dependent protein deacetylase sirtuin-2, and NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Uniprot Q8IXJ6, Q96EB6, and Q9NTG7
DOI: 10.7270/q2jh3qk6
title: BindingDB Entry 50008185: De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.

description: Small molecule binding data for protein Cereblon isoform 4, Uniprot A4TVL0
DOI: 10.7270/q2jh3qmn
title: BindingDB Entry 50008841: Identification of substituted benzothiazole sulfones as potent and selective inhibitors of endothelial lipase.

description: Small molecule binding data for protein Endothelial lipase and Hepatic triacylglycerol lipase, Uniprot P11150, Q9WVG5, and Q9Y5X9
DOI: 10.7270/q2jh3qn3
title: BindingDB Entry 50009451: Effective Virtual Screening Strategy toward heme-containing proteins: Identification of novel IDO1 inhibitors.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q2jh3qpj
title: BindingDB Entry 50010068: Identification of small molecule inhibitors of botulinum neurotoxin serotype E via footprint similarity.

description: Small molecule binding data for protein Botulinum neurotoxin type A and Botulinum neurotoxin type E, Uniprot P0DPI0 and Q00496
DOI: 10.7270/q2jh3qq0
title: BindingDB Entry 50010365: Nostotrebin 6 Related Cyclopentenediones and δ-Lactones with Broad Activity Spectrum Isolated from the Cultivation Medium of the Cyanobacterium

description: Small molecule binding data for protein Cysteine protease, Uniprot Q95PM0
DOI: 10.7270/q2jh3qrf
title: BindingDB Entry 50010627: Peptides Mimicking the β7/β8 Loop of HIV-1 Reverse Transcriptase p51 as "Hotspot-Targeted" Dimerization Inhibitors.

description: Small molecule binding data for protein Reverse transcriptase/RNaseH, Uniprot Q72547
DOI: 10.7270/q2jh3qsw
title: BindingDB Entry 50010981: Discovery of hydroxy pyrimidine Factor IXa inhibitors.

description: Small molecule binding data for protein Coagulation factor IX, Coagulation factor VII, Coagulation factor X, Coagulation factor XI, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A4, Uniprot P00740, P00742, P03951, P08684, P08709, P10635, and P11712
DOI: 10.7270/q2jh3qtb
title: BindingDB Entry 50011608: Synthesis and evaluation of a UMI-77-based fluorescent probe for selective detecting Mcl-1 protein and imaging in living cancer cells.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2 and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415 and Q07820
DOI: 10.7270/q2jh3qvs
title: BindingDB Entry 50012231: PTG-0861: A novel HDAC6-selective inhibitor as a therapeutic strategy in acute myeloid leukaemia.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, and Polyamine deacetylase HDAC10, Uniprot F8W336, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2jh3qw7
title: BindingDB Entry 50012846: Rational Design of Suprastat: A Novel Selective Histone Deacetylase 6 Inhibitor with the Ability to Potentiate Immunotherapy in Melanoma Models.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, and Histone deacetylase 9, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2jh3qxp
title: BindingDB Entry 50013497: Identification of a Series of

description: Small molecule binding data for protein Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, and Transcription initiation factor TFIID subunit 1, Uniprot O60885, P21675, P25440, Q15059, and Q58F21
DOI: 10.7270/q2jh3qz4
title: BindingDB Entry 50013841: Omipalisib inspired macrocycles as dual PI3K/mTOR inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P05177, P08684, P10635, P11712, P27986, P33261, P40989, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2jh3r00
title: BindingDB Entry 50014152: Cannabinoid Receptor Agonists for the Potential Treatment of Pain, Neurological Disorders, Fibrotic Diseases, Obesity, and Many More.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2jh3r1f
title: BindingDB Entry 50014497: Beyond direct Nrf2 activation; reinvestigating 1,2,4-oxadiazole scaffold as a master key unlocking the antioxidant cellular machinery for cancer therapy.

description: Small molecule binding data for protein Inhibitor of nuclear factor kappa-B kinase subunit alpha, NADPH oxidase 4, and Thioredoxin reductase 1, cytoplasmic, Uniprot O15111, Q16881, and Q9NPH5
DOI: 10.7270/q2jm2dpg
title: BindingDB Entry 9359: Heteroaryl compounds and uses thereof

description: Small molecule binding data for protein Fibroblast growth factor receptor 4, Uniprot P22455
DOI: 10.7270/q2jm2dqx
title: BindingDB Entry 9746: Bromodomain inhibitors

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2jm2drc
title: BindingDB Entry 9955: Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same

description: Small molecule binding data for protein Tryptophan 5-hydroxylase 1 and Tryptophan 5-hydroxylase 2, Uniprot P17752 and Q8IWU9
DOI: 10.7270/q2jm2dst
title: BindingDB Entry 10133: Pyrimidine derivative compound, optical isomer thereof, or pharmaceutically acceptable salt thereof, and composition for preventing or treating Tyro 3 related disease comprising same as active ingredient

description: Small molecule binding data for protein Tyrosine-protein kinase Mer, Tyrosine-protein kinase receptor TYRO3, and Tyrosine-protein kinase receptor UFO, Uniprot P30530, Q06418, and Q12866
DOI: 10.7270/q2jm2dt8
title: BindingDB Entry 10342: Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists

description: Small molecule binding data for protein E-selectin, Uniprot P16581
DOI: 10.7270/q2jm2dvq
title: BindingDB Entry 10729: Heterocyclic compounds as LSD1 inhibitors

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2jm2dw5
title: BindingDB Entry 50006919: Novel benzimidazole phosphonates as potential inhibitors of protein prenylation.

description: Small molecule binding data for protein Farnesyl pyrophosphate synthase, Geranylgeranyl pyrophosphate synthase, Geranylgeranyl transferase type-1 subunit beta, Geranylgeranyl transferase type-2 subunit alpha/beta, and Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha, Uniprot O95749, P14324, P53610, Q02293, Q04631, Q08602, and Q08603
DOI: 10.7270/q2jm2dxm
title: BindingDB Entry 50007537: Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.

description: Small molecule binding data for protein S-methyl-5'-thioadenosine phosphorylase, Uniprot Q13126
DOI: 10.7270/q2jm2dz2
title: BindingDB Entry 50008137: Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase D, Uniprot Q08752
DOI: 10.7270/q2jm2f0x
title: BindingDB Entry 50008462: Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1).

description: Small molecule binding data for protein Chromobox protein homolog 7, E3 SUMO-protein ligase CBX4, Histone-lysine N-methyltransferase EHMT2, Lethal(3)malignant brain tumor-like protein 3, Spindlin-1, Spindlin-2B, Spindlin-3, and Spindlin-4, Uniprot O00257, O95931, Q56A73, Q5JUX0, Q96JM7, Q96KQ7, Q9BPZ2, and Q9Y657
DOI: 10.7270/q2jm2f1c
title: BindingDB Entry 50008786: Potent HIV-1 protease inhibitors incorporating squaramide-derived P2 ligands: Design, synthesis, and biological evaluation.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2jm2f2t
title: BindingDB Entry 50009111: Identification of a potent small-molecule inhibitor of bacterial DNA repair that potentiates quinolone antibiotic activity in methicillin-resistant Staphylococcus aureus.

description: Small molecule binding data for protein DNA gyrase subunit A, Uniprot Q47245
DOI: 10.7270/q2jm2f38
title: BindingDB Entry 50009743: Covalent docking modelling-based discovery of tripeptidyl epoxyketone proteasome inhibitors composed of aliphatic-heterocycles.

description: Small molecule binding data for protein A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436, Proteasome subunit beta type-2, Proteasome subunit beta type-5, and Proteasome subunit beta type-8, Uniprot A5LHX3, O14818, P20618, P25786, P25787, P25788, P25789, P28062, P28065, P28066, P28070, P28072, P28074, P40306, P49720, P49721, P60900, Q8TAA3, and Q99436
DOI: 10.7270/q2jm2f4q
title: BindingDB Entry 50010327: Design, synthesis and biological evaluation of 2,5-dimethylfuran-3-carboxylic acid derivatives as potential IDO1 inhibitors.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q2jm2f55
title: BindingDB Entry 50010932: Synthesis and antiproliferative activity of sulfonamide-based peptidomimetic calpain inhibitors.

description: Small molecule binding data for protein Calpain-1 catalytic subunit, Uniprot P35750
DOI: 10.7270/q2jm2f6m
title: BindingDB Entry 50011263: VU6005806/AZN-00016130, an advanced M

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, and Muscarinic acetylcholine receptor M5, Uniprot P05177, P08172, P08173, P08482, P08483, P08485, P08684, P08911, P08912, P10635, P11229, P11712, and P20309
DOI: 10.7270/q2jm2f72
title: BindingDB Entry 50011560: Acylated 1

description: Small molecule binding data for protein Coagulation factor X, Coagulation factor XI, Coagulation factor XII, Fatty-acid amide hydrolase 1 [30-579], Monoglyceride lipase, Plasma kallikrein, Plasminogen, Prothrombin, and Urokinase-type plasminogen activator, Uniprot P00734, P00742, P00747, P00748, P00749, P03951, P03952, P97612, and Q99685
DOI: 10.7270/q2jm2f8h
title: BindingDB Entry 50011894: Cholesteryl ester transfer protein (CETP) inhibitors based on cyclic urea, bicyclic urea and bicyclic sulfamide cores.

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P11597
DOI: 10.7270/q2jm2f9z
title: BindingDB Entry 50012175: Computational Fragment-Based Design Facilitates Discovery of Potent and Selective Monoamine Oxidase-B (MAO-B) Inhibitor.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2jm2fbd
title: BindingDB Entry 50012513: Aminotriazole and Aminotetrazole Inhibitors of LSD1 as Epigenetic Modulators.

description: Small molecule binding data for protein REST corepressor 1 and Spermine oxidase, Uniprot Q9NWM0 and Q9UKL0
DOI: 10.7270/q2jm2fcv
title: BindingDB Entry 50013159: Identification of novel potent HIV-1 inhibitors by exploiting the tolerant regions of the NNRTIs binding pocket.

description: Small molecule binding data for protein Reverse transcriptase and Reverse transcriptase/RNaseH, Uniprot Q72547 and Q9WKE8
DOI: 10.7270/q2jm2fd9
title: BindingDB Entry 50013797: Chemoenzymatic synthesis of 2,6-disubstituted tetrahydropyrans with high σ

description: Small molecule binding data for protein Sigma intracellular receptor 2 and Sigma non-opioid intracellular receptor 1, Uniprot Q5U3Y7 and Q60492
DOI: 10.7270/q2jm2ffr
title: BindingDB Entry 50014454: Discovery and optimization of selective RET inhibitors via scaffold hopping.

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase receptor Ret, Receptor-type tyrosine-protein kinase FLT3, and Tyrosine-protein kinase JAK2, Uniprot O60674, P07949, and P36888
DOI: 10.7270/q2jq1436
title: BindingDB Entry 9150: Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 5, Uniprot Q99683
DOI: 10.7270/q2jq144n
title: BindingDB Entry 9537: Serine/threonine kinase inhibitors

description: Small molecule binding data for protein Mitogen-activated protein kinase 1, Uniprot P28482
DOI: 10.7270/q2jq1453
title: BindingDB Entry 9924: Compounds and their use for reducing uric acid levels

description: Small molecule binding data for protein Solute carrier family 22 member 12 and Xanthine dehydrogenase/oxidase, Uniprot P47989 and Q96S37
DOI: 10.7270/q2jq146j
title: BindingDB Entry 10311: Therapeutic heterocyclic compounds

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q2jq1470
title: BindingDB Entry 10520: Substituted bicyclic pyrimidine-based compounds and compositions and uses thereof

description: Small molecule binding data for protein Geranylgeranyl pyrophosphate synthase, Uniprot O95749
DOI: 10.7270/q2jq148f
title: BindingDB Entry 10698: Aromatic vinyl or aromatic ethyl derivative, preparation method therefor, intermediate, pharmaceutical composition, and application

description: Small molecule binding data for protein Programmed cell death 1 ligand/protein 1, Uniprot Q15116 and Q9NZQ7
DOI: 10.7270/q2jq149w
title: BindingDB Entry 10907: Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist

description: Small molecule binding data for protein Adenosine deaminase, Adenosine receptor A1, and Adenosine receptor A2a, Uniprot P00813, P29274, and P30542
DOI: 10.7270/q2jq14bb
title: BindingDB Entry 50007194: Highly fluorescent and HDAC6 selective scriptaid analogues.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, and Polyamine deacetylase HDAC10, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q2jq14cs
title: BindingDB Entry 50007810: Design, synthesis, and evaluation of N-(4-(4-phenyl piperazin-1-yl)butyl)-4-(thiophen-3-yl)benzamides as selective dopamine D

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, D(1A) dopamine receptor, D(1B) dopamine receptor, D(2) dopamine receptor, D(3) dopamine receptor, and D(4) dopamine receptor, Uniprot P08684, P10635, P11712, P14416, P21728, P21917, P21918, and P35462
DOI: 10.7270/q2jq14d7
title: BindingDB Entry 50008408: Cyclization of RGD Peptides by Suzuki-Miyaura Cross-Coupling.

description: Small molecule binding data for protein Integrin alpha-5/beta-1, Integrin alpha-IIb/beta-3, and Integrin alpha-V/beta-3, Uniprot P05106, P05556, P06756, P08514, and P08648
DOI: 10.7270/q2jq14fp
title: BindingDB Entry 50009066: Consideration of Binding Kinetics in the Design of Stapled Peptide Mimics of the Disordered Proteins Eukaryotic Translation Initiation Factor 4E-Binding Protein 1 and Eukaryotic Translation Initiation Factor 4G.

description: Small molecule binding data for protein Eukaryotic translation initiation factor 4E, Uniprot P06730
DOI: 10.7270/q2jq14g4
title: BindingDB Entry 50009406: Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.

description: Small molecule binding data for protein Biotin carboxylase, Uniprot P37798
DOI: 10.7270/q2jq14hk
title: BindingDB Entry 50009690: Effect of Modifier Structure on the Activation of Leukotriene A

description: Small molecule binding data for protein Leukotriene A-4 hydrolase, Uniprot P09960
DOI: 10.7270/q2jq14j1
title: BindingDB Entry 50010013: Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 11, Uniprot Q06124
DOI: 10.7270/q2jq14kg
title: BindingDB Entry 50010570: Synthesis and biological activity of thieno[3,2-d]pyrimidines as potent JAK3 inhibitors for the treatment of idiopathic pulmonary fibrosis.

description: Small molecule binding data for protein Epidermal growth factor receptor, Tyrosine-protein kinase BTK, and Tyrosine-protein kinase JAK3, Uniprot P00533, P52333, and Q06187
DOI: 10.7270/q2jq14mx
title: BindingDB Entry 50011216: Discovery of an Orally Active Small-Molecule Tumor Necrosis Factor-α Inhibitor.

description: Small molecule binding data for protein Tumor necrosis factor, Uniprot P01375
DOI: 10.7270/q2jq14nc
title: BindingDB Entry 50011838: Development of a Brigatinib degrader (SIAIS117) as a potential treatment for ALK positive cancer resistance.

description: Small molecule binding data for protein ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4, Uniprot Q9HC35 and Q9UM73
DOI: 10.7270/q2jq14pt
title: BindingDB Entry 50012460: Structural and in Vitro Functional Characterization of a Menthyl TRPM8 Antagonist Indicates Species-Dependent Regulation.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1 and Transient receptor potential cation channel subfamily M member 8, Uniprot Q6RI86, Q7Z2W7, and Q8R455
DOI: 10.7270/q2jq14q8
title: BindingDB Entry 50012795: Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp

description: Small molecule binding data for protein 5'-AMP-activated protein kinase catalytic subunit alpha-1, Cyclin-dependent kinase 2, Ephrin type-A receptor 3, Epidermal growth factor receptor, Mitogen-activated protein kinase 11/12/13/14, Mitogen-activated protein kinase kinase kinase 5, Proto-oncogene tyrosine-protein kinase receptor Ret, Receptor tyrosine-protein kinase erbB-4, Rho-associated protein kinase 1, Tyrosine-protein kinase ITK/TSK, and Tyrosine-protein kinase Mer, Uniprot O15264, P00533, P07949, P24941, P29320, P53778, Q08881, Q12866, Q13131, Q13464, Q15303, Q15759, Q16539, and Q99683
DOI: 10.7270/q2jq14rq
title: BindingDB Entry 50013118: Imidazopyridine-Based 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, and D(2) dopamine receptor, Uniprot P08908, P14416, P34969, and P50406