cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2pr80bx
title: BindingDB Entry 50007714: Design, synthesis and evaluation of novel 7H-pyrrolo[2,3-d]pyrimidin-4-amine derivatives as potent, selective and reversible Bruton's tyrosine kinase (BTK) inhibitors for the treatment of rheumatoid arthritis.

description: Small molecule binding data for protein Cytoplasmic tyrosine-protein kinase BMX, Epidermal growth factor receptor, Proto-oncogene tyrosine-protein kinase Src, Receptor tyrosine-protein kinase erbB-2, Receptor tyrosine-protein kinase erbB-4, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Tyrosine-protein kinase Fgr, Tyrosine-protein kinase Fyn, Tyrosine-protein kinase HCK, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK3, Tyrosine-protein kinase Lck, Tyrosine-protein kinase Lyn, Tyrosine-protein kinase TXK, Tyrosine-protein kinase Tec, and Tyrosine-protein kinase Yes, Uniprot P00533, P04626, P06239, P06241, P07947, P07948, P08631, P09769, P12931, P42680, P42681, P51451, P51813, P52333, Q06187, Q08881, and Q15303
DOI: 10.7270/q2pr80cc
title: BindingDB Entry 50008315: Overview of the Development of DprE1 Inhibitors for Combating the Menace of Tuberculosis.

description: Small molecule binding data for protein Cytochrome P450 2C9 and Decaprenylphosphoryl-beta-D-ribose oxidase, Uniprot P11712 and P9WJF1
DOI: 10.7270/q2pr80dt
title: BindingDB Entry 50008970: Transformation of Santonin to a Naproxen Analogue with Anti-Inflammatory Activity.

description: Small molecule binding data for protein Cytochrome c oxidase subunit 1 and Cytochrome c oxidase subunit 2, Uniprot O78749 and P00403
DOI: 10.7270/q2pr80f8
title: BindingDB Entry 50009582: New Rigid Nicotine Analogues, Carrying a Norbornane Moiety, Are Potent Agonists of α7 and α3* Nicotinic Receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor subunit alpha-3/beta-2 and Neuronal acetylcholine receptor subunit alpha-7, Uniprot P17787, P32297, P36544, and Q05941
DOI: 10.7270/q2pr80gq
title: BindingDB Entry 50009916: Discovery of Novel Polo-Like Kinase 1 Polo-Box Domain Inhibitors to Induce Mitotic Arrest in Tumor Cells.

description: Small molecule binding data for protein Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase PLK2, and Serine/threonine-protein kinase PLK3, Uniprot P53350, Q9H4B4, and Q9NYY3
DOI: 10.7270/q2pr80h5
title: BindingDB Entry 50010185: Synthesis and Structure-Activity Relationships of N-Dihydrocoptisine-8-ylidene Aromatic Amines and N-Dihydrocoptisine-8-ylidene Aliphatic Amides as Antiulcerative Colitis Agents Targeting XBP1.

description: Small molecule binding data for protein X-box-binding protein 1, Uniprot Q9R1S4
DOI: 10.7270/q2pr80jm
title: BindingDB Entry 50010485: Synthesis and biological evaluation of 4-arylcoumarins as potential anti-Alzheimer's disease agents.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] B, and Cholinesterase, Uniprot O42275, P19643, and P81908
DOI: 10.7270/q2pr80k2
title: BindingDB Entry 50011113: Pyrimethamine conjugated histone deacetylase inhibitors: Design, synthesis and evidence for triple negative breast cancer selective cytotoxicity.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 6, and Histone deacetylase 8, Uniprot Q13547, Q9BY41, and Q9UBN7
DOI: 10.7270/q2pr80mh
title: BindingDB Entry 50011739: Targeting of N-Type Calcium Channels via GABA

description: Small molecule binding data for protein Gamma-aminobutyric acid type B receptor subunit 1/2 and Neuronal acetylcholine receptor subunit alpha-10/alpha-9, Uniprot O75899, P43144, Q9GZZ6, Q9JLB5, Q9UBS5, and Q9UGM1
DOI: 10.7270/q2pr80nz
title: BindingDB Entry 50012359: Novel Carboline Fungal Histone Deacetylase (HDAC) Inhibitors for Combinational Treatment of Azole-Resistant Candidiasis.

description: Small molecule binding data for protein Histone deacetylase 1 and Histone deacetylase 6, Uniprot Q13547 and Q9UBN7
DOI: 10.7270/q2pr80pd
title: BindingDB Entry 50012990: Addition of Fluorine and a Late-Stage Functionalization (LSF) of the Oral SERD AZD9833.

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372
DOI: 10.7270/q2pr80qv
title: BindingDB Entry 50013362: Design, synthesis and biological evaluation of novel potent STAT3 inhibitors based on BBI608 for cancer therapy.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2pr80r9
title: BindingDB Entry 50013658: Development of potent and selective Cathepsin C inhibitors free of aortic binding liability by application of a conformational restriction strategy.

description: Small molecule binding data for protein Dipeptidyl peptidase 1, Uniprot P53634
DOI: 10.7270/q2pr80sr
title: BindingDB Entry 50013982: Discovery of a Pyrimidinedione Derivative as a Potent and Orally Bioavailable Axl Inhibitor.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Calcium/calmodulin-dependent protein kinase type 1, Cyclin-A2/Cyclin-dependent kinase 2, Cyclin-dependent kinase 12, Cyclin-dependent kinase 4/G1/S-specific cyclin-D3, Cyclin-dependent kinase 6/G1/S-specific cyclin-D3, Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1, Dual specificity mitogen-activated protein kinase kinase 1, Dual specificity protein kinase CLK1, Ephrin type-A receptor 2, Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Focal adhesion kinase 1, Hepatocyte growth factor receptor, Insulin-like growth factor 1 receptor, Mast/stem cell growth factor receptor Kit, Mitogen-activated protein kinase 1, Mitogen-activated protein kinase kinase kinase 20, Mitogen-activated protein kinase kinase kinase kinase 2, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Platelet-derived growth factor receptor alpha, Platelet-derived growth factor receptor beta, Proto-oncogene tyrosine-protein kinase Src, Proto-oncogene tyrosine-protein kinase receptor Ret, Receptor tyrosine-protein kinase erbB-4, Receptor-type tyrosine-protein kinase FLT3, Ribosomal protein S6 kinase alpha-1, Serine/threonine-protein kinase A-Raf, Serine/threonine-protein kinase mTOR, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BTK, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK3, Tyrosine-protein kinase Mer, Tyrosine-protein kinase SYK, Tyrosine-protein kinase receptor TYRO3, Tyrosine-protein kinase receptor UFO, Vascular endothelial growth factor receptor 1, and Vascular endothelial growth factor receptor 2, Uniprot O00329, P00519, P00533, P06493, P07949, P08069, P08581, P09619, P10398, P10721, P11362, P11802, P12931, P14635, P16234, P17948, P20248, P23458, P24941, P27986, P28482, P29317, P30281, P30530, P35968, P36888, P42345, P43405, P49759, P52333, Q00534, Q02750, Q05397, Q06187, Q06418, Q12851, Q12866, Q14012, Q15303, Q15418, Q9NYL2, Q9NYV4, and Q9UM73
DOI: 10.7270/q2pr80t6
title: BindingDB Entry 50014646: Novel Difluorocyclohexyl Derivatives as IL-17 Modulators for Treating Inflammatory and Autoimmune Diseases.

description: Small molecule binding data for protein Interleukin-17A, Uniprot Q16552
DOI: 10.7270/q2pv6pcx
title: BindingDB Entry 9056: Deuterated diaminopyrimidine compounds and pharmaceutical compositions comprising such compounds

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Uniprot Q9UM73
DOI: 10.7270/q2pv6pdc
title: BindingDB Entry 9443: Inhibitors of TRPC6

description: Small molecule binding data for protein Short transient receptor potential channel 6, Uniprot Q9Y210
DOI: 10.7270/q2pv6pft
title: BindingDB Entry 9652: Heteroarylbenzimidazole compounds

description: Small molecule binding data for protein Serine/threonine-protein kinase TBK1, Uniprot Q9UHD2
DOI: 10.7270/q2pv6pg8
title: BindingDB Entry 9830: Substituted fused pyrazole compounds and their use as LRRK2 inhibitors

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2, Uniprot Q5S007
DOI: 10.7270/q2pv6phq
title: BindingDB Entry 10039: Triazolopyrazine

description: Small molecule binding data for protein Bromodomain-containing protein 4 [44-168], Uniprot O60885
DOI: 10.7270/q2pv6pj5
title: BindingDB Entry 10426: 2,3-dihydro-isoindole-1-one derivative as BTK kinase suppressant, and pharmaceutical composition including same

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2pv6pkm
title: BindingDB Entry 10813: Substituted 1,2,3,4-tetrahydroquinolines as inhibitors of repair enzyme 8-oxoguanine deoxyribonucleic acid glycosylase activity

description: Small molecule binding data for protein N-glycosylase/DNA lyase, Uniprot O15527
DOI: 10.7270/q2pv6pm2
title: BindingDB Entry 50007057: Sugar Kick Prevents Memory Impairment.

description: Small molecule binding data for protein Protein O-GlcNAcase, Uniprot O60502
DOI: 10.7270/q2pv6pnh
title: BindingDB Entry 50007380: Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles.

description: Small molecule binding data for protein B-cell lymphoma 6 protein and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P41182 and Q07820
DOI: 10.7270/q2pv6ppz
title: BindingDB Entry 50007667: Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 4B1, and Oxidized purine nucleoside triphosphate hydrolase, Uniprot P13584, P36639, and P40989
DOI: 10.7270/q2pv6pqd
title: BindingDB Entry 50007993: Peptidomimetic Vinyl Heterocyclic Inhibitors of Cruzain Effect Antitrypanosomal Activity.

description: Small molecule binding data for protein Cathepsin B, Cathepsin S, Cruzipain, and Procathepsin L, Uniprot P07711, P07858, P25774, and P25779
DOI: 10.7270/q2pv6prv
title: BindingDB Entry 50008277: Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides.

description: Small molecule binding data for protein Urotensin-2 receptor, Uniprot P49684 and Q9UKP6
DOI: 10.7270/q2pv6ps9
title: BindingDB Entry 50008609: Asymmetric synthesis and biological evaluation of imidazole- and oxazole-containing synthetic lipoxin A

description: Small molecule binding data for protein N-formyl peptide receptor 2, Uniprot P25090
DOI: 10.7270/q2pv6ptr
title: BindingDB Entry 50009255: Tyrosinase inhibitory study of flavonolignans from the seeds of Silybum marianum (Milk thistle).

description: Small molecule binding data for protein Polyphenol oxidase 2, Uniprot O42713
DOI: 10.7270/q2pv6pv6
title: BindingDB Entry 50009864: 5-Alkyl-2-urea-Substituted Pyridines: Identification of Efficacious Glucokinase Activators with Improved Properties.

description: Small molecule binding data for protein Hexokinase-4, Uniprot P35557
DOI: 10.7270/q2pv6pwn
title: BindingDB Entry 50010438: Heterocycle amide isosteres: An approach to overcoming resistance for HIV-1 integrase strand transfer inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot Q7ZJM1
DOI: 10.7270/q2pv6px3
title: BindingDB Entry 50010772: Benzoxazepine-Derived Selective, Orally Bioavailable Inhibitor of Human Acidic Mammalian Chitinase.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Acidic mammalian chitinase, and Chitotriosidase-1, Uniprot P40989, Q13231, and Q9BZP6
DOI: 10.7270/q2pv6pzj
title: BindingDB Entry 50011069: Elucidation of Mechanism for Ligand Efficacy at Leukotriene B

description: Small molecule binding data for protein Leukotriene B4 receptor 2, Uniprot Q9NPC1
DOI: 10.7270/q2pv6q0d
title: BindingDB Entry 50011401: Small-molecule active pharmaceutical ingredients of approved cancer therapeutics inhibit human aspartate/asparagine-β-hydroxylase.

description: Small molecule binding data for protein Aspartyl/asparaginyl beta-hydroxylase, Uniprot Q12797
DOI: 10.7270/q2pv6q1v
title: BindingDB Entry 50012042: Integrating DNA-encoded chemical libraries with virtual combinatorial library screening: Optimizing a PARP10 inhibitor.

description: Small molecule binding data for protein Protein mono-ADP-ribosyltransferase PARP10, Uniprot Q53GL7
DOI: 10.7270/q2pv6q29
title: BindingDB Entry 50012654: Advances in the Design of Genuine Human Tyrosinase Inhibitors for Targeting Melanogenesis and Related Pigmentations.

description: Small molecule binding data for protein Tyrosinase, Uniprot P14679
DOI: 10.7270/q2pv6q3r
title: BindingDB Entry 50013300: Synthesis and anticancer activity of thiourea derivatives bearing a benzodioxole moiety with EGFR inhibitory activity, apoptosis assay and molecular docking study.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2pv6q46
title: BindingDB Entry 50013933: Discovery of a potent and selective Axl inhibitor in preclinical model.

description: Small molecule binding data for protein Tyrosine-protein kinase Mer and Tyrosine-protein kinase receptor UFO, Uniprot P30530 and Q12866
DOI: 10.7270/q2pv6q5n
title: BindingDB Entry 50014282: Identification of 3, 4-disubstituted pyridine derivatives as novel CDK8 inhibitors.

description: Small molecule binding data for protein Cyclin-C/Cyclin-dependent kinase 19, Uniprot P24863 and Q9BWU1
DOI: 10.7270/q2pv6q63
title: BindingDB Entry 50014600: Nanomolar inhibition of human OGA by 2-acetamido-2-deoxy-d-glucono-1,5-lactone semicarbazone derivatives.

description: Small molecule binding data for protein Beta-hexosaminidase subunit alpha and Protein O-GlcNAcase, Uniprot H7BWW2, O60502, and Q0V8R6
DOI: 10.7270/q2pz5cwk
title: BindingDB Entry 9234: Macrocyclic MCL-1 inhibitors and methods of use

description: Small molecule binding data for protein Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07820
DOI: 10.7270/q2pz5cx1
title: BindingDB Entry 9621: Pharmaceutical compounds

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q2pz5czg
title: BindingDB Entry 10008: Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q2pz5d0b
title: BindingDB Entry 10217: Compositions and methods for treating CNS disorders

description: Small molecule binding data for protein Gamma-aminobutyric acid receptor subunit alpha-1, Uniprot P62813
DOI: 10.7270/q2pz5d1s
title: BindingDB Entry 10395: Substituted pyridine derivatives useful as C-FMS kinase inhibitors

description: Small molecule binding data for protein Macrophage colony-stimulating factor 1 receptor and Receptor protein-tyrosine kinase, Uniprot A0A8C0LZB8, P07333, and Q00495
DOI: 10.7270/q2pz5d27
title: BindingDB Entry 10604: Thienopyrazine carboxamides as ubiquitin-specific protease inhibitors

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase 25 and Ubiquitin carboxyl-terminal hydrolase 28, Uniprot Q96RU2 and Q9UHP3
DOI: 10.7270/q2pz5d3p
title: BindingDB Entry 50006731: β-Fluorofentanyls Are pH-Sensitive Mu Opioid Receptor Agonists.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q2pz5d44
title: BindingDB Entry 50007322: Shape-based virtual screen for the discovery of novel CDK8 inhibitor chemotypes.

description: Small molecule binding data for protein Cyclin-C, Uniprot P24863
DOI: 10.7270/q2pz5d5k
title: BindingDB Entry 50007943: 4-Aryl-1-oxa-4,9-diazaspiro[5.5]undecane Derivatives as Dual μ-Opioid Receptor Agonists and σ

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, 5-hydroxytryptamine receptor 2B, Alpha-1A adrenergic receptor, Mu-type opioid receptor, and Sigma non-opioid intracellular receptor 1, Uniprot P35348, P35372, P40989, P41595, and Q99720
DOI: 10.7270/q2pz5d61
title: BindingDB Entry 50008550: Discovery and Optimization of Small Molecules Targeting the Protein-Protein Interaction of Heat Shock Protein 90 (Hsp90) and Cell Division Cycle 37 as Orally Active Inhibitors for the Treatment of Colorectal Cancer.

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha/90-beta, Uniprot P07900 and P08238
DOI: 10.7270/q2pz5d7g
title: BindingDB Entry 50008926: New analogs of SYA013 as sigma-2 ligands with anticancer activity.

description: Small molecule binding data for protein Sigma non-opioid intracellular receptor 1, Uniprot Q99720
DOI: 10.7270/q2pz5d8x
title: BindingDB Entry 50009208: Histone methyl transferases: A class of epigenetic opportunities to counter uncontrolled cell proliferation.

description: Small molecule binding data for protein Histone-arginine methyltransferase CARM1, Histone-lysine N-methyltransferase EHMT2, Histone-lysine N-methyltransferase EZH2, Histone-lysine N-methyltransferase SETD7, Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-lysine methyltransferase KMT5A, N-lysine methyltransferase SMYD2, and Protein arginine N-methyltransferase 5, Uniprot O14744, Q15910, Q86X55, Q8TEK3, Q8WTS6, Q96KQ7, Q9NQR1, and Q9NRG4
DOI: 10.7270/q2pz5d9c
title: BindingDB Entry 50009542: Synthesis, structure activity relationship and in vitro anti-influenza virus activity of novel polyphenol-pentacyclic triterpene conjugates.

description: Small molecule binding data for protein Hemagglutinin, Uniprot P03452
DOI: 10.7270/q2pz5dbt
title: BindingDB Entry 50010141: Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase.

description: Small molecule binding data for protein Misshapen-like kinase 1, Mitogen-activated protein kinase kinase kinase kinase 4, and TRAF2 and NCK-interacting protein kinase, Uniprot O95819, Q8N4C8, and Q9UKE5
DOI: 10.7270/q2pz5dc8
title: BindingDB Entry 50010720: Discovery of novel pyrrole derivatives as potent agonists for the niacin receptor GPR109A.

description: Small molecule binding data for protein Hydroxycarboxylic acid receptor 2, Uniprot Q8TDS4
DOI: 10.7270/q2pz5ddq
title: BindingDB Entry 50011349: Discovery of Small-Molecule Inhibitors of Receptor Activator of Nuclear Factor-κB Ligand with a Superior Therapeutic Index.

description: Small molecule binding data for protein Tumor necrosis factor ligand superfamily member 11, Uniprot O14788
DOI: 10.7270/q2pz5df5
title: BindingDB Entry 50011688: Fragment-Based Discovery of Novel Allosteric MEK1 Binders.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome c oxidase subunit 2, Dual specificity mitogen-activated protein kinase kinase 1, Insulin receptor, and Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, Uniprot O43924, P00403, P06213, P40989, and Q02750
DOI: 10.7270/q2pz5dgm
title: BindingDB Entry 50011992: Argininamide-type neuropeptide Y Y

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Uniprot P25929
DOI: 10.7270/q2pz5dh2
title: BindingDB Entry 50012307: Discovery of 5-bromo-4-phenoxy-N-phenylpyrimidin-2-amine derivatives as novel ULK1 inhibitors that block autophagy and induce apoptosis in non-small cell lung cancer.

description: Small molecule binding data for protein Serine/threonine-protein kinase ULK1 and Serine/threonine-protein kinase ULK2, Uniprot O75385 and Q8IYT8
DOI: 10.7270/q2pz5djh
title: BindingDB Entry 50012938: Discovery of Tricyclic Xanthines as Agonists of the Cannabinoid-Activated Orphan G-Protein-Coupled Receptor GPR18.

description: Small molecule binding data for protein G-protein coupled receptor 55 and N-arachidonyl glycine receptor, Uniprot Q14330 and Q9Y2T6
DOI: 10.7270/q2pz5dkz
title: BindingDB Entry 50013573: Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO).

description: Small molecule binding data for protein Cytochrome P450 3A4, Myeloperoxidase, and Thyroid peroxidase, Uniprot P05164, P07202, and P08684
DOI: 10.7270/q2pz5dmd
title: BindingDB Entry 50014246: Discovery and Structure-Activity Relationships of Quinazolinone-2-carboxamide Derivatives as Novel Orally Efficacious Antimalarials.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q2q24385
title: BindingDB Entry 9025: Dopamine D1 receptor positive allosteric modulators

description: Small molecule binding data for protein D(1A) dopamine receptor, Uniprot P21728
DOI: 10.7270/q2q2439m
title: BindingDB Entry 9203: Kinase inhibitor, and preparing method and pharmaceutical use thereof

description: Small molecule binding data for protein Cyclin-A2/Cyclin-dependent kinase 1, Cyclin-dependent kinase 4/G1/S-specific cyclin-D3, and Cyclin-dependent kinase 6/G1/S-specific cyclin-D3, Uniprot P06493, P11802, P20248, P30281, and Q00534
DOI: 10.7270/q2q243b2
title: BindingDB Entry 9412: 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives

description: Small molecule binding data for protein Mu-type opioid receptor and Prepronociceptin, Uniprot P35372 and Q13519
DOI: 10.7270/q2q243ch
title: BindingDB Entry 9799: PRMT5 inhibitors

description: Small molecule binding data for protein Protein arginine N-methyltransferase 5, Uniprot O14744
DOI: 10.7270/q2q243dz
title: BindingDB Entry 10186: Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors

description: Small molecule binding data for protein Dipeptidyl peptidase 1, Uniprot P53634
DOI: 10.7270/q2q243fd
title: BindingDB Entry 10573: Morpholine derivative

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2, Sodium-dependent dopamine transporter, and Trace amine-associated receptor 1, Uniprot Q01959, Q12809, and Q96RJ0
DOI: 10.7270/q2q243gv
title: BindingDB Entry 10782: Arginase inhibitors and methods of use thereof

description: Small molecule binding data for protein Arginase-1 and Arginase-2, mitochondrial, Uniprot P05089 and P78540
DOI: 10.7270/q2q243h9
title: BindingDB Entry 50006685: Discovery of pyrazole-thiophene derivatives as highly Potent, orally active Akt inhibitors.

description: Small molecule binding data for protein RAC-alpha serine/threonine-protein kinase, Uniprot P31749
DOI: 10.7270/q2q243jr
title: BindingDB Entry 50007007: Discovery of 4-Methylquinazoline Based PI3K Inhibitors for the Potential Treatment of Idiopathic Pulmonary Fibrosis.

description: Small molecule binding data for protein Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, 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, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P27986, P42336, P42338, and P48736
DOI: 10.7270/q2q243k6
title: BindingDB Entry 50007622: An isoform-selective inhibitor of tropomyosin receptor kinase A behaves as molecular glue.

description: Small molecule binding data for protein BDNF/NT-3 growth factors receptor and High affinity nerve growth factor receptor, Uniprot P04629 and Q16620
DOI: 10.7270/q2q243mn
title: BindingDB Entry 50008228: Rapid generation of novel benzoic acid-based xanthine derivatives as highly potent, selective and long acting DPP-4 inhibitors: Scaffold-hopping and prodrug study.

description: Small molecule binding data for protein Dipeptidyl peptidase 4, Dipeptidyl peptidase 8, and Dipeptidyl peptidase 9, Uniprot P27487, Q6V1X1, and Q86TI2
DOI: 10.7270/q2q243n3
title: BindingDB Entry 50008875: α-Glucosidase inhibition activity and in silico study of 2-(benzo[d][1,3]dioxol-5-yl)-4H-chromen-4-one, a synthetic derivative of flavone.

description: Small molecule binding data for protein Probable maltase-glucoamylase 2, Uniprot Q2M2H8