cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2vh5sfs
title: BindingDB Entry 50011386: Design and synthesis of new disubstituted benzoxazolone derivatives that act as iNOS inhibitors with potent anti-inflammatory activity against LPS-induced acute lung injury (ALI).

description: Small molecule binding data for protein Nitric oxide synthase, inducible, Uniprot P29477
DOI: 10.7270/q2vh5sg7
title: BindingDB Entry 50011724: Largazole Analogues Embodying Radical Changes in the Depsipeptide Ring: Development of a More Selective and Highly Potent Analogue.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3, and Histone deacetylase 6, Uniprot O15379, Q13547, Q92769, and Q9UBN7
DOI: 10.7270/q2vh5shp
title: BindingDB Entry 50012347: Modulation of the G-Protein-Coupled Receptor 84 (GPR84) by Agonists and Antagonists.

description: Small molecule binding data for protein G-protein coupled receptor 84, Uniprot Q8CIM5 and Q9NQS5
DOI: 10.7270/q2vh5sj4
title: BindingDB Entry 50012972: In Silico-Guided Identification of New Potent Inhibitors of Carbonic Anhydrases Expressed in

description: Small molecule binding data for protein Carbonic anhydrase 1 and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2vh5skk
title: BindingDB Entry 50013636: Exploiting the hydrophobic channel of the NNIBP: Discovery of novel diarylpyrimidines as HIV-1 NNRTIs against wild-type and K103N mutant viruses.

description: Small molecule binding data for protein Reverse transcriptase/RNaseH, Uniprot Q72547
DOI: 10.7270/q2vh5sm1
title: BindingDB Entry 50014272: Novel HDAC1 and HDAC2 Inhibitors for Treating Diseases.

description: Small molecule binding data for protein Histone deacetylase 1 and Histone deacetylase 2, Uniprot Q13547 and Q92769
DOI: 10.7270/q2vh5sng
title: BindingDB Entry 50014630: N-Terminus to Arginine Side-Chain Cyclization of Linear Peptidic Neuropeptide Y Y

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Neuropeptide Y receptor type 4, and Neuropeptide Y receptor type 5, Uniprot P25929, P49146, P50391, and Q15761
DOI: 10.7270/q2vm4g9x
title: BindingDB Entry 9047: 2,4-disubstituted pyrimidines useful as kinase inhibitors

description: Small molecule binding data for protein Cytoplasmic tyrosine-protein kinase BMX, Epidermal growth factor receptor, Epidermal growth factor receptor [T790M,L858R], Epidermal growth factor receptor [T790M], Tyrosine-protein kinase BTK, Tyrosine-protein kinase ITK/TSK, and Tyrosine-protein kinase JAK3, Uniprot P00533, P51813, P52333, Q06187, and Q08881
DOI: 10.7270/q2vm4gbc
title: BindingDB Entry 9434: 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid derivatives as novel JAK kinase inhibitors

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/q2vm4gct
title: BindingDB Entry 9821: Substituted pyridines as inhibitors of DNMT1

description: Small molecule binding data for protein DNA (cytosine-5)-methyltransferase 1, Uniprot P26358
DOI: 10.7270/q2vm4gd8
title: BindingDB Entry 10208: Compounds

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase 30, Uniprot Q70CQ3
DOI: 10.7270/q2vm4gfq
title: BindingDB Entry 10417: SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER

description: Small molecule binding data for protein Histone acetyltransferase KAT6A and Histone acetyltransferase KAT6B, Uniprot Q8WYB5 and Q92794
DOI: 10.7270/q2vm4gg5
title: BindingDB Entry 10595: Modulators of the 5-hydroxytryptamine receptor 7 and their method of use

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 7, Uniprot P34969
DOI: 10.7270/q2vm4ghm
title: BindingDB Entry 10804: Heterocyclic inhibitors of ATR kinase

description: Small molecule binding data for protein ATR-interacting protein/Serine/threonine-protein kinase ATR, Uniprot Q13535 and Q8WXE1
DOI: 10.7270/q2vm4gj2
title: BindingDB Entry 50007042: Identification and Optimization of Mechanism-Based Fluoroallylamine Inhibitors of Lysyl Oxidase-like 2/3.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, D-amino-acid oxidase, Lysyl oxidase homolog 1, Lysyl oxidase homolog 2, Lysyl oxidase homolog 3, Lysyl oxidase homolog 4, Membrane primary amine oxidase, and Protein-lysine 6-oxidase, Uniprot B5DF27, P14920, P21397, P27338, P28300, P28301, P33072, P58022, P58215, Q08397, Q16853, Q96JB6, and Q9Y4K0
DOI: 10.7270/q2vm4gkh
title: BindingDB Entry 50007655: Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Receptor-interacting serine/threonine-protein kinase 1, Receptor-interacting serine/threonine-protein kinase 2, and Receptor-interacting serine/threonine-protein kinase 3, Uniprot O43353, P08581, Q13546, and Q9Y572
DOI: 10.7270/q2vm4gmz
title: BindingDB Entry 50008262: Recent advances in class IIa histone deacetylases research.

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 O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2vm4gnd
title: BindingDB Entry 50008592: 1-(2-Hydroxybenzoyl)-thiosemicarbazides are promising antimicrobial agents targeting d-alanine-d-alanine ligase in bacterio.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, 5-hydroxytryptamine receptor 1A, Acetylcholinesterase, Amine oxidase [flavin-containing] A, Angiotensin-converting enzyme, Arginase-1, Cannabinoid receptor 1, Carbonic anhydrase 2, D-3-phosphoglycerate dehydrogenase, D-alanine--D-alanine ligase, Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2, Indoleamine 2,3-dioxygenase 1, L-lactate dehydrogenase A chain, Monoglyceride lipase, Muscarinic acetylcholine receptor M1, O15496/P04054/P14555/P39877/Q5R387/Q9BX93/Q9BZM1/Q9BZM2/Q9NZ20/Q9NZK7/Q9UNK4, Peroxisome proliferator-activated receptor alpha, Prostaglandin G/H synthase 1, Prothrombin, Tyrosine-protein kinase Lck, and cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A, Uniprot O15496, O43175, P00338, P00734, P00918, P04054, P05089, P06239, P08908, P11229, P12821, P14555, P14867, P14902, P18507, P21397, P21554, P22303, P23219, P39877, P40989, P47870, Q07869, Q14432, Q47758, Q5R387, Q99685, Q9BX93, Q9BZM1, Q9BZM2, Q9NZ20, Q9NZK7, and Q9UNK4
DOI: 10.7270/q2vm4gpv
title: BindingDB Entry 50008913: Discovery of Bisubstrate Inhibitors for Protein N-Terminal Methyltransferase 1.

description: Small molecule binding data for protein Adenosylhomocysteinase, Histone-lysine N-methyltransferase EHMT2, Histone-lysine N-methyltransferase SETD7, N-terminal Xaa-Pro-Lys N-methyltransferase 1, Nicotinamide N-methyltransferase, and Protein arginine N-methyltransferase 1, Uniprot P23526, P40261, Q63009, Q8WTS6, Q96KQ7, and Q9BV86
DOI: 10.7270/q2vm4gq9
title: BindingDB Entry 50009240: Discovery of novel selective Janus kinase 2 (JAK2) inhibitors bearing a 1H-pyrazolo[3,4-d]pyrimidin-4-amino scaffold.

description: Small molecule binding data for protein Tyrosine-protein kinase JAK1/JAK3, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60674, P23458, P52333, and Q62689
DOI: 10.7270/q2vm4grr
title: BindingDB Entry 50009529: Bioactive Pentacyclic Triterpenes from the Root Bark Extract of Myrianthus arboreus, a Species Used Traditionally to Treat Type-2 Diabetes.

description: Small molecule binding data for protein Glucose-6-phosphatase catalytic subunit 1 and Glycogen [starch] synthase, liver, Uniprot P43428 and P54840
DOI: 10.7270/q2vm4gs6
title: BindingDB Entry 50009853: Design and synthesis of new homo and hetero bis-piperazinyl-1-propanone derivatives as 5-HT7R selective ligands over 5-HT1AR.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine receptor 7, Uniprot P08908 and P34969
DOI: 10.7270/q2vm4gtn
title: BindingDB Entry 50010428: Design, synthesis and biological evaluation of 2-H pyrazole derivatives containing morpholine moieties as highly potent small molecule inhibitors of APC-Asef interaction.

description: Small molecule binding data for protein Adenomatous polyposis coli protein, Uniprot P25054
DOI: 10.7270/q2vm4gv3
title: BindingDB Entry 50011051: Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Activin receptor type-1, Activin receptor type-1B, Alpha-2A adrenergic receptor, Bone morphogenetic protein receptor type-1A, Bone morphogenetic protein receptor type-1B, Cannabinoid receptor 1, Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Epithelial discoidin domain-containing receptor 1, Misshapen-like kinase 1, Mitogen-activated protein kinase kinase kinase 20, Protein-tyrosine kinase 6, Serine/threonine-protein kinase NLK, Serine/threonine-protein kinase SIK2, Serine/threonine-protein kinase receptor R3, TGF-beta receptor type-1, TRAF2 and NCK-interacting protein kinase, and Tyrosine-protein kinase ABL1, Uniprot O00238, P00519, P05177, P08684, P08913, P10632, P10635, P11712, P20813, P21554, P33261, P36894, P36896, P36897, P37023, P40989, Q04771, Q08345, Q13882, Q8N4C8, Q9H0K1, Q9NYL2, Q9UBE8, and Q9UKE5
DOI: 10.7270/q2vm4gwj
title: BindingDB Entry 50011673: Dihydroorotate Dehydrogenase Inhibitors for Treating Acute Myelogenous Leukemia (AML).

description: Small molecule binding data for protein Dihydroorotate dehydrogenase (quinone), mitochondrial, Uniprot Q02127
DOI: 10.7270/q2vm4gx0
title: BindingDB Entry 50012025: Design of a Long-Acting and Selective MEG-Fatty Acid Stapled Prolactin-Releasing Peptide Analog.

description: Small molecule binding data for protein Neuropeptide FF receptor 2 and Prolactin-releasing peptide receptor, Uniprot P49683 and Q9Y5X5
DOI: 10.7270/q2vm4gzf
title: BindingDB Entry 50012294: Tricyclic heterocycles display diverse sensitivity to the A147T TSPO polymorphism.

description: Small molecule binding data for protein Translocator protein, Uniprot P30536
DOI: 10.7270/q2vm4h09
title: BindingDB Entry 50012644: Discovery of dihydropyrazino-benzimidazole derivatives as metabotropic glutamate receptor-2 (mGluR2) positive allosteric modulators (PAMs).

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Metabotropic glutamate receptor 2, Uniprot P05177, P08684, P10635, P11712, P33261, and Q14416
DOI: 10.7270/q2vm4h1r
title: BindingDB Entry 50013282: Discovery of orally active indirubin-3'-oxime derivatives as potent type 1 FLT3 inhibitors for acute myeloid leukemia.

description: Small molecule binding data for protein BDNF/NT-3 growth factors receptor, High affinity nerve growth factor receptor, Macrophage colony-stimulating factor 1 receptor, Maternal embryonic leucine zipper kinase, Proto-oncogene tyrosine-protein kinase Src, Proto-oncogene tyrosine-protein kinase receptor Ret, Receptor-type tyrosine-protein kinase FLT3, Tyrosine-protein kinase Mer, and Vascular endothelial growth factor receptor 3, Uniprot P04629, P07333, P07949, P12931, P35916, P36888, Q12866, Q14680, and Q16620
DOI: 10.7270/q2vm4h26
title: BindingDB Entry 50013918: Novel 1,2,4-triazine-quinoline hybrids: The privileged scaffolds as potent multi-target inhibitors of LPS-induced inflammatory response via dual COX-2 and 15-LOX inhibition.

description: Small molecule binding data for protein Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2, Uniprot P05979, P35354, and P79208
DOI: 10.7270/q2vm4h3n
title: BindingDB Entry 50014585: Potent Anti-Inflammatory, Arylpyrazole-Based Glucocorticoid Receptor Agonists That Do Not Impair Insulin Secretion.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P06536
DOI: 10.7270/q2vq35q7
title: BindingDB Entry 9225: Antidiabetic bicyclic compounds

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2vq35rp
title: BindingDB Entry 9403: Substituted 3-azabicyclo[3.1.0]hexanes as ketohexokinase inhibitors

description: Small molecule binding data for protein Isoform A of Ketohexokinase (Peripheral) and Ketohexokinase, Uniprot P50053
DOI: 10.7270/q2vq35s4
title: BindingDB Entry 9612: Pyridazinones as PARP7 inhibitors

description: Small molecule binding data for protein Protein mono-ADP-ribosyltransferase TIPARP, Uniprot Q7Z3E1
DOI: 10.7270/q2vq35tk
title: BindingDB Entry 9999: Hydroxamic acids comprising pyrazole moiety and uses thereof

description: Small molecule binding data for protein Botulinum neurotoxin type A [1-429], Uniprot P0DPI1
DOI: 10.7270/q2vq35v1
title: BindingDB Entry 10386: Phenylpyrazolylacetamide compounds and derivatives as CDK8/CDK19 inhibitors

description: Small molecule binding data for protein Cyclin-C/Cyclin-dependent kinase 8, Uniprot P24863 and P49336
DOI: 10.7270/q2vq35wg
title: BindingDB Entry 10773: Compounds as neuronal histamine receptor-3 antagonists and uses thereof

description: Small molecule binding data for protein Histamine H3 receptor, Uniprot Q9Y5N1
DOI: 10.7270/q2vq35xx
title: BindingDB Entry 50006720: Triazolo-azepine Inhibitors of γ-Secretase and Their Methods of Use.

description: Small molecule binding data for protein Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 and Presenilin-1, Uniprot P49768, P49810, Q8WW43, Q92542, Q96BI3, and Q9NZ42
DOI: 10.7270/q2vq35zc
title: BindingDB Entry 50006996: Cytotoxic Components from Hypericum elodeoides Targeting RXRα and Inducing HeLa Cell Apoptosis through Caspase-8 Activation and PARP Cleavage.

description: Small molecule binding data for protein Retinoic acid receptor RXR-alpha, Uniprot P19793
DOI: 10.7270/q2vq3607
title: BindingDB Entry 50007309: Fluoromethylcyclopropylamine derivatives as potential in vivo toxicophores - A cautionary disclosure.

description: Small molecule binding data for protein Poly(ADP-ribose) glycohydrolase, Uniprot Q86W56
DOI: 10.7270/q2vq361p
title: BindingDB Entry 50007931: Fibrinolysis Inhibitors: Potential Drugs for the Treatment and Prevention of Bleeding.

description: Small molecule binding data for protein Coagulation factor X, Coagulation factor XI, Coagulation factor XII, Complement C1r subcomponent, Complement C1s subcomponent, Plasma kallikrein, Plasminogen, Prothrombin, Tissue-type plasminogen activator, Urokinase-type plasminogen activator, and Vitamin K-dependent protein C, Uniprot P00734, P00736, P00742, P00747, P00748, P00749, P00750, P03951, P03952, P04070, and P09871
DOI: 10.7270/q2vq3624
title: BindingDB Entry 50008532: Scaffold Hopping of Natural Product Evodiamine: Discovery of a Novel Antitumor Scaffold with Excellent Potency against Colon Cancer.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2vq363k
title: BindingDB Entry 50009190: Indazolylketones as new multitarget cannabinoid drugs.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2vq3641
title: BindingDB Entry 50009815: Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.

description: Small molecule binding data for protein Bromodomain adjacent to zinc finger domain protein 2A, Bromodomain adjacent to zinc finger domain protein 2B, Bromodomain-containing protein 4, Bromodomain-containing protein 9, CREB-binding protein, Chromatin remodeling regulator CECR2, Histone acetyltransferase p300, Peregrin, Probable global transcription activator SNF2L2, Protein polybromo-1, Transcription activator BRG1, Transcription initiation factor TFIID subunit 1, and Transcription intermediary factor 1-alpha, Uniprot O15164, O60885, P21675, P51531, P51532, P55201, Q09472, Q86U86, Q92793, Q9BXF3, Q9H8M2, Q9UIF8, and Q9UIF9
DOI: 10.7270/q2vq365g
title: BindingDB Entry 50010130: Discovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515.

description: Small molecule binding data for protein Cytochrome P450 2B6, Cytochrome P450 2D6, Poly [ADP-ribose] polymerase 1, Poly [ADP-ribose] polymerase 2, Poly [ADP-ribose] polymerase tankyrase-1, and Protein mono-ADP-ribosyltransferase PARP3, Uniprot O95271, P09874, P10635, P20813, Q9UGN5, and Q9Y6F1
DOI: 10.7270/q2vq366x
title: BindingDB Entry 50010391: Multistep Binding of the Non-Steroidal Inhibitors Orteronel and Seviteronel to Human Cytochrome P450 17A1 and Relevance to Inhibition of Enzyme Activity.

description: Small molecule binding data for protein Steroid 17-alpha-hydroxylase/17,20 lyase, Uniprot P05093
DOI: 10.7270/q2vq367c
title: BindingDB Entry 50010708: STAT3 inhibitory activity of naphthoquinones isolated from Tabebuia avellanedae.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2vq368t
title: BindingDB Entry 50011340: Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach.

description: Small molecule binding data for protein Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2, Uniprot P00533 and P04626
DOI: 10.7270/q2vq3698
title: BindingDB Entry 50011979: Discovery of 5-Benzylidene-2-phenyl-1,3-dioxane-4,6-diones as Highly Potent and Selective SIRT1 Inhibitors.

description: Small molecule binding data for protein NAD-dependent protein deacetylase sirtuin-1, NAD-dependent protein deacetylase sirtuin-2, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, and NAD-dependent protein deacylase sirtuin-5, mitochondrial, Uniprot Q8IXJ6, Q96EB6, Q9NTG7, and Q9NXA8
DOI: 10.7270/q2vq36bq
title: BindingDB Entry 50012594: Radiofluorinated N-Octanoyl Dopamine ([

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot O35433
DOI: 10.7270/q2vq36c5
title: BindingDB Entry 50012924: Peptoid NPhe

description: Small molecule binding data for protein Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, and Melanocyte-stimulating hormone receptor, Uniprot P33033, P41149, P56450, and Q01727
DOI: 10.7270/q2vq36dm
title: BindingDB Entry 50013229: Discovery of Dihydrobenzoxazepinone (GS-6615) Late Sodium Current Inhibitor (Late I

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Sodium channel protein type 1 subunit alpha, Sodium channel protein type 10 subunit alpha, Sodium channel protein type 2 subunit alpha, Sodium channel protein type 3 subunit alpha, Sodium channel protein type 4 subunit alpha, Sodium channel protein type 5 subunit alpha, Sodium channel protein type 8 subunit alpha, and Sodium channel protein type 9 subunit alpha, Uniprot P08684, P10632, P10635, P11712, P20813, P33261, P35498, P35499, P40989, Q14524, Q15858, Q99250, Q9NY46, Q9UQD0, and Q9Y5Y9
DOI: 10.7270/q2vq36f2
title: BindingDB Entry 50013564: Dihydro-β-agarofuran-Type Sesquiterpenoids from the Seeds of

description: Small molecule binding data for protein ATP-dependent translocase ABCB1, Uniprot P08183
DOI: 10.7270/q2vq36gh
title: BindingDB Entry 50013869: One pot synthesis, in silico study and evaluation of some novel flavonoids as potent topoisomerase II inhibitors.

description: Small molecule binding data for protein DNA topoisomerase 2-alpha, Uniprot P11388
DOI: 10.7270/q2vq36hz
title: BindingDB Entry 50014234: Synthesis and biological evaluation of selective survivin inhibitors derived from the MX-106 hydroxyquinoline scaffold.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 5, Uniprot O15392
DOI: 10.7270/q2vt1w4k
title: BindingDB Entry 9194: Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors

description: Small molecule binding data for protein Plasma kallikrein and Thymidine kinase, cytosolic, Uniprot P03952 and P04183
DOI: 10.7270/q2vt1w51
title: BindingDB Entry 9581: Inhibitors of lysine specific demethylase-1

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2vt1w6g
title: BindingDB Entry 9790: Substituted pyrazines as ATR kinase inhibitors

description: Small molecule binding data for protein Serine/threonine-protein kinase ATR, Uniprot Q13535
DOI: 10.7270/q2vt1w7x
title: BindingDB Entry 9968: Fused tricyclic ring derivatives as Src homology-2 phosphate inhibitors

description: Small molecule binding data for protein SH2B adapter protein 2, Uniprot O14492
DOI: 10.7270/q2vt1w8c
title: BindingDB Entry 10177: Heterocyclic compounds as immunomodulators

description: Small molecule binding data for protein Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167], Uniprot Q15116 and Q9NZQ7
DOI: 10.7270/q2vt1w9t
title: BindingDB Entry 10564: Substituted dihydroimidazopyridinediones as MKNK1 and MKNK2 inhibitors

description: Small molecule binding data for protein MAP kinase-interacting serine/threonine-protein kinase 1, Uniprot Q9BUB5
DOI: 10.7270/q2vt1wb8
title: BindingDB Entry 50006290: Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer.

description: Small molecule binding data for protein Receptor-interacting serine/threonine-protein kinase 1, Uniprot Q13546 and Q60855
DOI: 10.7270/q2vt1wcq
title: BindingDB Entry 50007263: Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies.

description: Small molecule binding data for protein Dihydroorotate dehydrogenase (quinone), mitochondrial, Uniprot Q02127 and Q08210
DOI: 10.7270/q2vt1wd5
title: BindingDB Entry 50007609: Novel multitarget 5-arylidenehydantoins with arylpiperazinealkyl fragment: Pharmacological evaluation and investigation of cytotoxicity and metabolic stability.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine receptor 7, Uniprot P08908 and P34969
DOI: 10.7270/q2vt1wfm
title: BindingDB Entry 50007869: Carboxamides vs. methanimines: Crystal structures, binding interactions, photophysical studies, and biological evaluation of (indazole-5-yl)methanimines as monoamine oxidase B and acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Cholinesterase, Uniprot P06276, P19643, P21397, P22303, and P27338
DOI: 10.7270/q2vt1wg2
title: BindingDB Entry 50008214: Discovery, synthesis, and in vitro evaluation of a novel bioactive peptide for ACE and DPP-IV inhibitory activity.

description: Small molecule binding data for protein Angiotensin-converting enzyme and Dipeptidyl peptidase 4, Uniprot F1RRW5 and P27487
DOI: 10.7270/q2vt1whh
title: BindingDB Entry 50008861: Design, synthesis and biological evaluation of hypolipidemic compounds based on BRD4 inhibitor RVX-208.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885