cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q24x5chb
title: BindingDB Entry 50012671: Synthesis and Structure-Activity Relationship of Tetra-Substituted Cyclohexyl Diol Inhibitors of Proviral Insertion of Moloney Virus (PIM) Kinases.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Glycogen synthase kinase-3 beta, Serine/threonine-protein kinase pim-1, Serine/threonine-protein kinase pim-2, and Serine/threonine-protein kinase pim-3, Uniprot P05177, P08684, P10635, P11309, P11712, P40989, P49841, Q86V86, and Q9P1W9
DOI: 10.7270/q24x5cjs
title: BindingDB Entry 50013322: Discovery of new thieno[3,2-d]pyrimidine derivatives targeting EGFR

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q24x5ck7
title: BindingDB Entry 50013953: Design, synthesis and anti-HIV evaluation of novel 5-substituted diarylpyrimidine derivatives as potent HIV-1 NNRTIs.

description: Small molecule binding data for protein Reverse transcriptase/RNaseH, Uniprot Q72547
DOI: 10.7270/q24x5cmp
title: BindingDB Entry 50014614: Ulleunganilines A-C, Trichostatin Analogues Bearing a Modified Side Chain from

description: Small molecule binding data for protein Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q251428f
title: BindingDB Entry 9037: Selective estrogen receptor down-regulators

description: Small molecule binding data for protein Estrogen receptor [307-554] and Potassium voltage-gated channel subfamily H member 2, Uniprot P03372 and Q12809
DOI: 10.7270/q251429w
title: BindingDB Entry 9246: Oxadiazole transient receptor potential channel inhibitors

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot O75762
DOI: 10.7270/q25142bb
title: BindingDB Entry 9633: Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q25142cs
title: BindingDB Entry 10020: Galactoside inhibitor of galectins

description: Small molecule binding data for protein Galectin-1 and Galectin-3, Uniprot P09382 and P17931
DOI: 10.7270/q25142d7
title: BindingDB Entry 10407: Selective inhibitors of protein arginine methyltransferase 5 (PRMT5)

description: Small molecule binding data for protein Methylosome protein 50/Protein arginine N-methyltransferase 5, Uniprot O14744 and Q9BQA1
DOI: 10.7270/q25142fp
title: BindingDB Entry 10794: Substituted pyrrolopyridine-derivatives

description: Small molecule binding data for protein Serine/threonine-protein kinase TBK1, Uniprot Q9UHD2
DOI: 10.7270/q25142g4
title: BindingDB Entry 50006755: Discovery of Pyridazinone and Pyrazolo[1,5-

description: Small molecule binding data for protein Tyrosine-protein kinase CSK, Tyrosine-protein kinase Lck, and Tyrosine-protein kinase ZAP-70, Uniprot P06239, P41240, and P43403
DOI: 10.7270/q25142hk
title: BindingDB Entry 50007022: Structure-Reactivity Relationships on Substrates and Inhibitors of the Lysine Deacylase Sirtuin 2 from

description: Small molecule binding data for protein NAD-dependent protein deacetylase and NAD-dependent protein deacetylase sirtuin-2, Uniprot Q8IXJ6 and T1VXA1
DOI: 10.7270/q25142j1
title: BindingDB Entry 50007344: Allosteric mGluR

description: Small molecule binding data for protein Metabotropic glutamate receptor 3, Uniprot Q14832
DOI: 10.7270/q25142kg
title: BindingDB Entry 50007962: Incorporation of Agouti-Related Protein (AgRP) Human Single Nucleotide Polymorphisms (SNPs) in the AgRP-Derived Macrocyclic Scaffold c[Pro-Arg-Phe-Phe-Asn-Ala-Phe-dPro] Decreases Melanocortin-4 Receptor Antagonist Potency and Results in the Discovery of Melanocortin-5 Receptor Antagonists.

description: Small molecule binding data for protein Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, and Melanocyte-stimulating hormone receptor, Uniprot P32245, P33033, P41149, P56450, and Q01727
DOI: 10.7270/q25142mx
title: BindingDB Entry 50008572: Bifunctional Pyrimidines as Modulators of Focal Adhesion Kinase.

description: Small molecule binding data for protein Focal adhesion kinase 1, Uniprot Q05397
DOI: 10.7270/q25142nc
title: BindingDB Entry 50009223: Discovery and lead optimisation of a potent, selective and orally bioavailable RARβ agonist for the potential treatment of nerve injury.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Retinoic acid receptor alpha, Retinoic acid receptor beta, and Retinoic acid receptor gamma, Uniprot P05177, P08684, P10635, P10826, P11416, P11712, P18911, P22605, and P33261
DOI: 10.7270/q25142pt
title: BindingDB Entry 50009556: CDK8 as a therapeutic target for cancers and recent developments in discovery of CDK8 inhibitors.

description: Small molecule binding data for protein Cyclin-C/Cyclin-dependent kinase 19, Cyclin-dependent kinase 19, Cyclin-dependent kinase 8, Receptor tyrosine-protein kinase erbB-2, Rho-associated protein kinase 1, Rho-associated protein kinase 2, and cAMP-dependent protein kinase catalytic subunit alpha, Uniprot O75116, P04626, P17612, P24863, P49336, Q13464, and Q9BWU1
DOI: 10.7270/q25142q8
title: BindingDB Entry 50009841: Exploring Basic Tail Modifications of Coumarin-Based Dual Acetylcholinesterase-Monoamine Oxidase B Inhibitors: Identification of Water-Soluble, Brain-Permeant Neuroprotective Multitarget Agents.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Cholinesterase, Uniprot O42275, P21397, P27338, and P81908
DOI: 10.7270/q25142rq
title: BindingDB Entry 50010156: Discovery of 2,3'-diindolylmethanes as a novel class of PCSK9 modulators.

description: Small molecule binding data for protein Proprotein convertase subtilisin/kexin type 9, Uniprot Q8NBP7
DOI: 10.7270/q25142s5
title: BindingDB Entry 50010416: A γ-Lactam Siderophore Antibiotic Effective against Multidrug-Resistant Gram-Negative Bacilli.

description: Small molecule binding data for protein Peptidoglycan D,D-transpeptidase FtsI, Uniprot Q51504
DOI: 10.7270/q25142tm
title: BindingDB Entry 50010746: Inhibiting Matrix Metalloproteinase-2 Activation by Perturbing Protein-Protein Interactions Using a Cyclic Peptide.

description: Small molecule binding data for protein 72 kDa type IV collagenase, Uniprot P08253
DOI: 10.7270/q25142v2
title: BindingDB Entry 50011371: TBA

description: Small molecule binding data for protein Rho-associated protein kinase 1 and Rho-associated protein kinase 2, Uniprot O75116 and Q13464
DOI: 10.7270/q25142wh
title: BindingDB Entry 50012011: Anticancer potential of some imidazole and fused imidazole derivatives: exploring the mechanism

description: Small molecule binding data for protein Cyclin-A2/Cyclin-dependent kinase 2, Cyclin-dependent kinase 4/G1/S-specific cyclin-D3, Cyclin-dependent kinase 6/G1/S-specific cyclin-D1, and Epidermal growth factor receptor, Uniprot P00533, P11802, P20248, P24385, P24941, P30281, and Q00534
DOI: 10.7270/q25142xz
title: BindingDB Entry 50012626: Discovery of 4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amines as potent, selective and orally bioavailable LRRK2 inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 3A4, Leucine-rich repeat serine/threonine-protein kinase 2, Nuclear receptor subfamily 1 group I member 2, and Solute carrier organic anion transporter family member 1B1, Uniprot O75469, P08684, P40989, Q5S007, and Q9Y6L6
DOI: 10.7270/q25142zd
title: BindingDB Entry 50012954: Hydrogen Peroxide Inducible JAK3 Covalent Inhibitor: Prodrug for the Treatment of RA with Enhanced Safety Profile.

description: Small molecule binding data for protein Tyrosine-protein kinase JAK3, Uniprot Q62137
DOI: 10.7270/q2514308
title: BindingDB Entry 50013260: Targeting different binding sites in the CFTR structures allows to synergistically potentiate channel activity.

description: Small molecule binding data for protein Cystic fibrosis transmembrane conductance regulator, Uniprot P13569
DOI: 10.7270/q251431q
title: BindingDB Entry 50013610: Nitrile-based peptoids as cysteine protease inhibitors.

description: Small molecule binding data for protein Cathepsin B, Cathepsin K, Cathepsin S, Cruzipain, and Procathepsin L, Uniprot P07711, P07858, P25774, P25779, and P43235
DOI: 10.7270/q2514325
title: BindingDB Entry 50014262: Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 6, Acetylcholinesterase, and Cholinesterase, Uniprot O42275, P06276, P50406, and P81908
DOI: 10.7270/q2542rmg
title: BindingDB Entry 9215: Salts and pharmaceutical compositions thereof for the treatment of inflammatory disorders

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2 [871-1187], Tyrosine-protein kinase JAK1 [850-1154], Tyrosine-protein kinase JAK2 [808-1132], and Tyrosine-protein kinase JAK3 [781-1124], Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q2542rnx
title: BindingDB Entry 9424: Bicyclic inhibitors of histone deacetylase

description: Small molecule binding data for protein Histone deacetylase 1 and Histone deacetylase 2, Uniprot Q13547 and Q92769
DOI: 10.7270/q2542rpc
title: BindingDB Entry 9602: RIPK2 inhibitors and method of treating cancer with same

description: Small molecule binding data for protein Receptor-interacting serine/threonine-protein kinase 2, Uniprot O43353
DOI: 10.7270/q2542rqt
title: BindingDB Entry 9811: Cyclopropanamine compound and use thereof

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, and P27338
DOI: 10.7270/q2542rr8
title: BindingDB Entry 10198: Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics

description: Small molecule binding data for protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 1, Uniprot P22413
DOI: 10.7270/q2542rsq
title: BindingDB Entry 10585: N-[2-({4-[3-(ANILINO)-4-OXO-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]PYRIDIN-3-YL)OXY)ETHYL]PROP-2-ENAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER

description: Small molecule binding data for protein Epidermal growth factor receptor [669-770,'SVD',771-1210], Uniprot P00533
DOI: 10.7270/q2542rt5
title: BindingDB Entry 50006704: Evaluation of a Series of β-Secretase 1 Inhibitors Containing Novel Heteroaryl-Fused-Piperazine Amidine Warheads.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2, and Potassium voltage-gated channel subfamily H member 1, Uniprot O95259, P56817, and Q9Y5Z0
DOI: 10.7270/q2542rvm
title: BindingDB Entry 50007293: Discovery of an isocoumarin analogue that modulates neuronal functions via neurotrophin receptor TrkB.

description: Small molecule binding data for protein BDNF/NT-3 growth factors receptor, High affinity nerve growth factor receptor, and Luciferin 4-monooxygenase, Uniprot P04629, P08659, and Q16620
DOI: 10.7270/q2542rw2
title: BindingDB Entry 50007644: Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl-2-like protein 1, Bcl-2-related protein A1, and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07817, Q07820, and Q16548
DOI: 10.7270/q2542rxh
title: BindingDB Entry 50007910: Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, and Histone deacetylase 9, Uniprot P40989, P56524, Q13547, Q8WUI4, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2542rzz
title: BindingDB Entry 50008246: Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 2, Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot P00915, P00918, P43166, and Q16790
DOI: 10.7270/q2542s0t
title: BindingDB Entry 50008889: Rational design of allosteric modulators of the aromatase enzyme: An unprecedented therapeutic strategy to fight breast cancer.

description: Small molecule binding data for protein Aromatase, Uniprot P11511
DOI: 10.7270/q2542s18
title: BindingDB Entry 50009512: Tetrazole as a Replacement of the Electrophilic Group in Characteristic Prolyl Oligopeptidase Inhibitors.

description: Small molecule binding data for protein Prolyl endopeptidase, Uniprot P23687 and Q9QUR6
DOI: 10.7270/q2542s2q
title: BindingDB Entry 50010119: Dual Pharmacophores Explored via Structure-Activity Relationship (SAR) Matrix: Insights into Potent, Bifunctional Opioid Ligand Design.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P33533, P33535, and P41145
DOI: 10.7270/q2542s35
title: BindingDB Entry 50010688: Potent non-hydroxamate inhibitors of histone deacetylase-8: Role and scope of an isoindolin-2-yl linker with an α-amino amide as the zinc-binding unit.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 6, and Histone deacetylase 8, Uniprot Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q2542s4m
title: BindingDB Entry 50011040: Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.

description: Small molecule binding data for protein Cytochrome P450 3A4, Interleukin-1 receptor-associated kinase 3, Interleukin-1 receptor-associated kinase 4, Mast/stem cell growth factor receptor Kit, Mitogen-activated protein kinase kinase kinase 7, TRAF2 and NCK-interacting protein kinase, Tyrosine-protein kinase Lck, and Tyrosine-protein kinase receptor TYRO3, Uniprot O43318, P06239, P08684, P10721, Q06418, Q8R4K2, Q9NWZ3, Q9UKE5, and Q9Y616
DOI: 10.7270/q2542s52
title: BindingDB Entry 50011322: New V1a receptor antagonist. Part 2. Identification and optimization of triazolobenzazepines.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Vasopressin V1a receptor, and Vasopressin V2 receptor, Uniprot P30518, P37288, and P40989
DOI: 10.7270/q2542s6h
title: BindingDB Entry 50011653: The Bicyclic Form of

description: Small molecule binding data for protein Galactocerebrosidase, Uniprot P54818
DOI: 10.7270/q2542s7z
title: BindingDB Entry 50012279: Factor XII/XIIa inhibitors: Their discovery, development, and potential indications.

description: Small molecule binding data for protein Coagulation factor XII and Serine protease 1/Trypsin-2/Trypsin-3, Uniprot P00748, P07477, P07478, and P35030
DOI: 10.7270/q2542s8d
title: BindingDB Entry 50012911: Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X

description: Small molecule binding data for protein Apoptosis regulator Bcl-2 and Bcl-2-like protein 1, Uniprot P10415 and Q07817
DOI: 10.7270/q2542s9v
title: BindingDB Entry 50013550: Design, synthesis, and target identification of new hypoxia-inducible factor 1 (HIF-1) inhibitors containing 1-alkyl-1H-pyrazole-3-carboxamide moiety.

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha, Uniprot Q16665
DOI: 10.7270/q2542sb9
title: BindingDB Entry 50013905: Discovery of 3,5-dimethylisoxazole derivatives as novel, potent inhibitors for bromodomain and extraterminal domain (BET) family.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2542scr
title: BindingDB Entry 50014213: Design of gp120 HIV-1 entry inhibitors by scaffold hopping via isosteric replacements.

description: Small molecule binding data for protein Envelope glycoprotein gp160 and Reverse transcriptase/RNaseH, Uniprot Q6QLK5 and Q72547
DOI: 10.7270/q2542sd6
title: BindingDB Entry 50014566: Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.

description: Small molecule binding data for protein Arginase-1, Uniprot P05089
DOI: 10.7270/q2571g2n
title: BindingDB Entry 9393: Azetidinyloxyphenylpyrrolidine compounds

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2571g33
title: BindingDB Entry 9780: JAK inhibitors containing a 4-membered heterocyclic amide

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/q2571g4j
title: BindingDB Entry 9989: Small molecule inhibitors of the JAK family of kinases

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2 [580-1182], Tyrosine-protein kinase JAK1 [574-1154], Tyrosine-protein kinase JAK2 [532-1132], and Tyrosine-protein kinase JAK3 [512-1124], Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q2571g50
title: BindingDB Entry 10167: Pyrazolopyrimidine compounds and uses thereof

description: Small molecule binding data for protein Activin receptor type-1 [147-509], Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, and Fibroblast growth factor receptor 3, Uniprot P11362, P21802, P22607, and Q04771
DOI: 10.7270/q2571g6f
title: BindingDB Entry 10376: Compounds useful as inhibitors of ALCAT 1

description: Small molecule binding data for protein Lysocardiolipin acyltransferase 1, Uniprot Q6UWP7
DOI: 10.7270/q2571g7w
title: BindingDB Entry 10554: Substituted quinazolines for inhibiting kinase activity

description: Small molecule binding data for protein Epidermal growth factor receptor, Epidermal growth factor receptor [T790M,L858R], Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Tyrosine-protein kinase BTK, Tyrosine-protein kinase JAK3, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P11362, P21802, P35968, P52333, and Q06187
DOI: 10.6084/m9.figshare.19961531
title: mice raw data.xlsx

description: mice data
DOI: 10.6084/m9.figshare.19961531.v2
title: mice raw data.xlsx

description: mice data
DOI: 10.6084/m9.figshare.19961531.v1
title: mice raw data.xlsx

description: mice data
DOI: 10.7270/q2571g8b
title: BindingDB Entry 10763: Compounds and uses thereof

description: Small molecule binding data for protein Bromodomain-containing protein 9 [133-239], Uniprot Q9H8M2
DOI: 10.7270/q2571g9s
title: BindingDB Entry 50006979: Inhibition of the FAD containing ER oxidoreductin 1 (Ero1) protein by EN-460 as a strategy for treatment of multiple myeloma.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, ERO1-like protein alpha, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, P27338, and Q96HE7
DOI: 10.7270/q2571gb7
title: BindingDB Entry 50007589: 11-Aminostrychnine and

description: Small molecule binding data for protein Glycine receptor subunit alpha-1/beta, Uniprot P23415 and P48167
DOI: 10.7270/q2571gcp
title: BindingDB Entry 50008192: Discovery of a Potent and Selective CCR4 Antagonist That Inhibits T

description: Small molecule binding data for protein C-C chemokine receptor type 4, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A4, Uniprot P05177, P08684, P10635, P11712, P33261, P51679, and P51680
DOI: 10.7270/q2571gd4
title: BindingDB Entry 50008511: Prodrugs for nitroreductase-based cancer therapy-3: Antitumor activity of the novel dinitroaniline prodrugs/Ssap-NtrB enzyme suicide gene system: Synthesis, in vitro and in silico evaluation in prostate cancer.

description: Small molecule binding data for protein Putative nitroreductase, Uniprot Q4A0P1
DOI: 10.7270/q2571gfk
title: BindingDB Entry 50008845: Discovery of DC_H31 as potential mutant IDH1 inhibitor through NADPH-based high throughput screening.

description: Small molecule binding data for protein Isocitrate dehydrogenase [NADP] cytoplasmic, Uniprot O75874
DOI: 10.7270/q2571gg1
title: BindingDB Entry 50009170: Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.

description: Small molecule binding data for protein Coagulation factor X, Kallikrein-1, Kallikrein-14, Kallikrein-5, Kallikrein-7, Kallikrein-8, Neutrophil elastase, Plasma kallikrein, Prothrombin, Suppressor of tumorigenicity 14 protein, and Urokinase-type plasminogen activator, Uniprot O60259, P00734, P00742, P00749, P03952, P06870, P08246, P49862, Q9P0G3, Q9Y337, and Q9Y5Y6
DOI: 10.7270/q2571ghg
title: BindingDB Entry 50009799: Development of Heat Shock Protein (Hsp90) Inhibitors To Combat Resistance to Tyrosine Kinase Inhibitors through Hsp90-Kinase Interactions.

description: Small molecule binding data for protein Breakpoint cluster region protein/Tyrosine-protein kinase ABL1, Heat shock protein HSP 90-alpha/90-beta, and Platelet-derived growth factor receptor alpha, Uniprot P00519, P07900, P08238, P11274, and P16234
DOI: 10.7270/q2571gjx
title: BindingDB Entry 50010370: Yanhusanines A-F, Isoquinoline-Derived Alkaloid Enantiomers from

description: Small molecule binding data for protein Cocaine esterase and Liver carboxylesterase 1, Uniprot O00748 and P23141
DOI: 10.7270/q2571gkc
title: BindingDB Entry 50010985: Discovery of triazolo [1,5-a] pyridine derivatives as novel JAK1/2 inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60674, P23458, and P52333
DOI: 10.7270/q2571gmt
title: BindingDB Entry 50011611: Xanthones for melanogenesis inhibition: Molecular docking and QSAR studies to understand their anti-tyrosinase activity.

description: Small molecule binding data for protein Tyrosinase, Uniprot P14679
DOI: 10.7270/q2571gn8
title: BindingDB Entry 50011967: Novel Oxazine Monoacylglycerol Lipase (MAGL) Inhibitors.

description: Small molecule binding data for protein Monoglyceride lipase, Uniprot Q99685
DOI: 10.7270/q2571gpq
title: BindingDB Entry 50012236: Discovery of first-in-class multi-target adenosine A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A3, Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P0DMS8, P29274, P29275, P30542, and Q16790
DOI: 10.7270/q2571gq5
title: BindingDB Entry 50012576: A facile stereoselective synthesis of dispiro-indeno pyrrolidine/pyrrolothiazole-thiochroman hybrids and evaluation of their antimycobacterial, anticancer and AchE inhibitory activities.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2571grm
title: BindingDB Entry 50013209: Developing novel classes of protein kinase CK1δ inhibitors by fusing [1,2,4]triazole with different bicyclic heteroaromatic systems.

description: Small molecule binding data for protein Casein kinase I isoform delta and Casein kinase I isoform epsilon, Uniprot P48730 and P49674