cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q27d2x19
title: BindingDB Entry 50047514: Discovery of 3-Substituted 1H-Indole-2-carboxylic Acid Derivatives as a Novel Class of CysLT1 Selective Antagonists.

description: Small molecule binding data for protein Cysteinyl leukotriene receptor, Uniprot Q9NS75 and Q9Y271
DOI: 10.7270/q2bc41bx
title: BindingDB Entry 50046493: Structure-based de novo design and synthesis of aminothiazole-based p38 MAP kinase inhibitors.

description: Small molecule binding data for protein MAP kinase p38, Uniprot O15264, P53778, Q15759, and Q16539
DOI: 10.7270/q2br8v14
title: BindingDB Entry 50046996: Exploring the role of chloro and methyl substitutions in 2-phenylthiomethyl-benzoindole derivatives for 5-LOX enzyme inhibition.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP and Prostaglandin E synthase, Uniprot O14684 and P09917
DOI: 10.7270/q2c53nrm
title: BindingDB Entry 50047513: Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Casein Kinase II, Death-associated protein kinase 2, Death-associated protein kinase 3, Dual specificity tyrosine-phosphorylation-regulated kinase 4, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 2, Dual-specificity tyrosine-phosphorylation regulated kinase 3, Dual-specificity tyrosine-regulated kinases 1B, Homeodomain-interacting protein kinase 1, Homeodomain-interacting protein kinase 2 (HIPK2), Homeodomain-interacting protein kinase 3, and Homeodomain-interacting protein kinase 4, Uniprot O43293, O43781, P40989, P68400, Q13627, Q86Z02, Q8NE63, Q92630, Q9H2X6, Q9H422, Q9NR20, Q9UIK4, and Q9Y463
DOI: 10.7270/q2fb54xr
title: BindingDB Entry 50048032: Carboxamide Spleen Tyrosine Kinase (Syk) Inhibitors: Leveraging Ground State Interactions To Accelerate Optimization.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Serine/threonine-protein kinase Chk2, Testis-specific serine/threonine-protein kinase 3, Tyrosine-protein kinase SYK, and Tyrosine-protein kinase ZAP-70, Uniprot O96017, P40989, P43403, P43405, Q5S007, and Q96PN8
DOI: 10.7270/q2gx4dg1
title: BindingDB Entry 50047512: Glutaminase GLS1 Inhibitors as Potential Cancer Treatment.

description: Small molecule binding data for protein Glutaminase kidney isoform, mitochondrial, Uniprot O94925
DOI: 10.7270/q2k35wn3
title: BindingDB Entry 50048031: Identification of an Orally Efficacious GPR40/FFAR1 Receptor Agonist.

description: Small molecule binding data for protein Free fatty acid receptor 1 and Melanocortin receptor 4, Uniprot O14842 and P70596
DOI: 10.7270/q2kw5hv5
title: BindingDB Entry 50046491: Strongylophorines, new protein tyrosine phosphatase 1B inhibitors, from the marine sponge Strongylophora strongilata collected at Iriomote Island.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2mp556r
title: BindingDB Entry 50047511: The"Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.

description: Small molecule binding data for protein Bromodomain adjacent to zinc finger domain protein 2B, Bromodomain-containing protein 9, CREB-binding protein/p53, and Peregrin, Uniprot P55201, Q92793, Q9H8M2, and Q9UIF8
DOI: 10.7270/q2pv6nch
title: BindingDB Entry 50048030: Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors.

description: Small molecule binding data for protein PAK1, Protein kinase C theta type, SRC, Serine/threonine-protein kinase PAK 2, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P06239, P06241, P07947, P07948, P12931, Q04759, Q13153, and Q13177
DOI: 10.7270/q2qn68kw
title: BindingDB Entry 50046490: Synergistic activation of quorum sensing in Vibrio harveyi.

description: Small molecule binding data for protein Autoinducer 2-binding periplasmic protein luxP, Uniprot P54300
DOI: 10.7270/q2v989vf
title: BindingDB Entry 50046489: Boronic acid-containing aminopyridine- and aminopyrimidinecarboxamide CXCR1/2 antagonists: Optimization of aqueous solubility and oral bioavailability.

description: Small molecule binding data for protein Chemokine receptor type 1 (CXCR1) and Interleukin-8 receptors, CXCR2, Uniprot P25024 and P25025
DOI: 10.7270/q2251m51
title: BindingDB Entry 50048035: Discovery and Optimization of Two Eis Inhibitor Families as Kanamycin Adjuvants against Drug-Resistant

description: Small molecule binding data for protein N-acetyltransferase Eis
DOI: 10.7270/q22v2hwg
title: BindingDB Entry 50046495: Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3.

description: Small molecule binding data for protein Voltage-gated potassium channel and Voltage-gated potassium channel subunit Kv1.3, Uniprot P16390, P22001, and Q09470
DOI: 10.7270/q25t3ngq
title: BindingDB Entry 50048034: Gossypol with Hydrophobic Linear Esters Exhibits Enhanced Antitumor Activity as an Inhibitor of Antiapoptotic Proteins.

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/q29k4d6f
title: BindingDB Entry 50048033: Discovery of Pyrazolopyrimidine Derivatives as Novel Dual Inhibitors of BTK and PI3Kd.

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform and Tyrosine-protein kinase BTK, Uniprot O00329, P48736, and Q06187
DOI: 10.7270/q29s1svf
title: BindingDB Entry 50047004: Design, synthesis, and biological evaluation of crenatoside analogues as novel influenza neuraminidase inhibitors.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q2f47qxg
title: BindingDB Entry 50046500: Synthesis and biological evaluation of a new series of 2-amino-3-aroyl thiophene derivatives as agonist allosteric modulators of the A1 adenosine receptor. A position-dependent effect study.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q2fj2jmm
title: BindingDB Entry 50047003: Design, synthesis, and biological evaluation of novel thiazolidinediones as PPAR¿/FFAR1 dual agonists.

description: Small molecule binding data for protein Free fatty acid receptor 1 and Peroxisome proliferator-activated receptor alpha (PPAR alpha), Uniprot O14842 and Q07869
DOI: 10.7270/q2g44s3q
title: BindingDB Entry 50046492: Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and MAP kinase ERK2, Uniprot P05177, P08684, P10635, P11712, and P28482
DOI: 10.7270/q2jw8gpb
title: BindingDB Entry 50046499: Design, synthesis, pharmacological evaluation and molecular dynamics ofß-amino acids morphan-derivatives as novel ligands for opioid receptors.

description: Small molecule binding data for protein Mu opioid receptor-like OR2
DOI: 10.7270/q2k939cs
title: BindingDB Entry 50047002: Design, synthesis and in vitro activity of phidianidine B derivatives as novel PTP1B inhibitors with specific selectivity.

description: Small molecule binding data for protein Protein tyrosine phosphatase SHP-2 (SHP-2), Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Receptor-type tyrosine-protein phosphatase F (LAR), and T-cell protein-tyrosine phosphatase, Uniprot P10586, P17706, P18031, P29350, and Q06124
DOI: 10.7270/q2kp843t
title: BindingDB Entry 50047519: Identification and in Vivo Evaluation of Liver X Receptorß-Selective Agonists for the Potential Treatment of Alzheimer's Disease.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Uniprot P55055 and Q13133
DOI: 10.7270/q2q2423h
title: BindingDB Entry 50047001: Synthesis and biological evaluation of fluorinated 1,5-diarylpyrrole-3-alkoxyethyl ether derivatives as selective COX-2 inhibitors endowed with anti-inflammatory activity.

description: Small molecule binding data for protein Cyclooxygenase-2 (COX-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P22437 and Q05769
DOI: 10.7270/q2qf8vtr
title: BindingDB Entry 50047518: Rational Design, Synthesis, and Biological Evaluation of 7-Azaindole Derivatives as Potent Focused Multi-Targeted Kinase Inhibitors.

description: Small molecule binding data for protein Breakpoint cluster region protein /Tyrosine-protein kinase ABL, Epidermal growth factor receptor, Platelet-derived growth factor receptor, RAF serine/threonine protein kinase, SRC, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Yes, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00519, P00533, P04626, P06239, P06241, P07947, P07948, P08631, P11274, P12931, P15056, P16234, P21860, P42685, and Q15303
DOI: 10.7270/q2sn0bz0
title: BindingDB Entry 50048037: Recent advances in the discovery and development of antibacterial agents targeting the cell-division protein FtsZ.

description: Small molecule binding data for protein Cell division protein FtsZ, Uniprot P0A031 and P0A9A6
DOI: 10.7270/q2tf004b
title: BindingDB Entry 50046497: Synthesis of 3,4-diaminobenzoyl derivatives as factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Thrombin, and Trypsin, Uniprot P00735, P00742, P07477, P07478, and P35030
DOI: 10.7270/q2tt4ssp
title: BindingDB Entry 50047000: Discovery and SAR of N-(1-((substituted piperidin-4-yl)methyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamide derivatives: 5-Hydroxytryptamine receptor 4 agonist as a potent prokinetic agent.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, 5-hydroxytryptamine receptor 4 (5-HT4), and HTR4, Uniprot P40989, Q13639, and Q62758
DOI: 10.7270/q2v69mh1
title: BindingDB Entry 50047517: Affinity-Guided Design of Caveolin-1 Ligands for Deoligomerization.

description: Small molecule binding data for protein Caveolin-1, Uniprot Q03135 Q9UNG1 Q9UQH6 Q9UGP1
DOI: 10.7270/q2xd13pq
title: BindingDB Entry 50048036: Synthesis, activity and docking studies of phenylpyrimidine-carboxamide Sorafenib derivatives.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2z321fb
title: BindingDB Entry 50046496: Phenolic Compounds from the Leaves and Twigs of Osteomeles schwerinae That Inhibit Rat Lens Aldose Reductase and Vessel Dilation in Zebrafish Larvae.

description: Small molecule binding data for protein Aldose reductase, Uniprot P07943
DOI: 10.7270/q2zg6v33
title: BindingDB Entry 50046999: Discovery and preclinical evaluation of potent, orally bioavailable, metabolically stable cyclopropylindolobenzazepine acylsulfonamides as thumb site 1 inhibitors of the hepatitis c virus NS5B RNA-dependent, RNA polymerase.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Uniprot P40989
DOI: 10.7270/q2zw1nt8
title: BindingDB Entry 50047516: Identification of Adenine and Benzimidazole Nucleosides as Potent Human Concentrative Nucleoside Transporter 2 Inhibitors: Potential Treatment for Hyperuricemia and Gout.

description: Small molecule binding data for protein Sodium/nucleoside cotransporter 2, Uniprot O43868 and Q9QWI3 Q62773
DOI: 10.7270/q2154k1n
title: BindingDB Entry 50048043: 3-Hydrazinoindolin-2-one derivatives: Chemical classification and investigation of their targets as anticancer agents.

description: Small molecule binding data for protein Axin-1/Glycogen synthase kinase-3 beta, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-dependent kinase 2, Hepatocyte growth factor receptor, and Protein tyrosine phosphatase SHP-2 (SHP-2), Uniprot P06493, P08581, P20248, P24941, P49841, and Q06124
DOI: 10.7270/q21v5gsj
title: BindingDB Entry 50046503: Design, synthesis and biological activities of novel oxazolo[4,5-g]quinazolin-2(1H)-one derivatives as EGFR inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q22809fj
title: BindingDB Entry 50047006: Synthesis of mixed MOR/KOR efficacy cyclic opioid peptide analogs with antinociceptive activity after systemic administration.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, P35372, P41143, P41144, and P41145
DOI: 10.7270/q24x59rn
title: BindingDB Entry 50048042: Discovery and antiplatelet activity of a selective PI3Kß inhibitor (MIPS-9922).

description: Small molecule binding data for protein Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Uniprot O00329 and P42338
DOI: 10.7270/q25m67h8
title: BindingDB Entry 50046502: Bifunctional compounds targeting both D2 and non-a7 nACh receptors: design, synthesis and pharmacological characterization.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine receptor, Neuronal acetylcholine receptor, and Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P17787, P35462, P43681, P61169, and Q05941
DOI: 10.7270/q261124t
title: BindingDB Entry 50047005: Lead optimization of the VU0486321 series of mGlu(1) PAMs. Part 2: SAR of alternative 3-methyl heterocycles and progress towards an in vivo tool.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 4 (mGluR4), and Metabotropic glutamate receptor 5, Uniprot P05177, P08684, P10635, P11712, P41594, Q13255, and Q14833
DOI: 10.7270/q26d5vwh
title: BindingDB Entry 50047522: Rational Design of Small Peptides for Optimal Inhibition of Cyclooxygenase-2: Development of a Highly Effective Anti-Inflammatory Agent.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q29c706j
title: BindingDB Entry 50046501: Synthesis of bicoumarin thiophosphate derivatives as steroid sulfatase inhibitors.

description: Small molecule binding data for protein Steroid Sulfatase (STS), Uniprot P08842
DOI: 10.7270/q2b56mnp
title: BindingDB Entry 50047521: Atropisomer Control in Macrocyclic Factor VIIa Inhibitors.

description: Small molecule binding data for protein Coagulation factor III/Factor VIIa (fVIIa), Coagulation factor X/antithrombin III, Coagulation factor XI, Kallikrein-1 (KLK1), Prothrombin, and Trypsin, Uniprot P00734, P00742, P03951, P06870, P07477, P07478, P08709, P13726, and P35030
DOI: 10.7270/q2db83tt
title: BindingDB Entry 50048040: Engineering another class of anti-tubercular lead: Hit to lead optimization of an intriguing class of gyrase ATPase inhibitors.

description: Small molecule binding data for protein DNA gyrase subunit B, Uniprot P0C559
DOI: 10.7270/q2fx7cc3
title: BindingDB Entry 50047520: Repurposing the Clinically Efficacious Antifungal Agent Itraconazole as an Anticancer Chemotherapeutic.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2j38vj5
title: BindingDB Entry 50048039: 2-(Phenylsulfonyl)quinoline N-hydroxyacrylamides as potent anticancer agents inhibiting histone deacetylase.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 8, Uniprot A0A024QZ26, Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q2nv9m74
title: BindingDB Entry 50048038: Synthesis and antitumor activity of selenium-containing quinone-based triazoles possessing two redox centres, and their mechanistic insights.

description: Small molecule binding data for protein Quinone reductase 1), Uniprot P15559
DOI: 10.7270/q2p2710k
title: BindingDB Entry 50047009: Thioxocoumarins Show an Alternative Carbonic Anhydrase Inhibition Mechanism Compared to Coumarins.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2pn97fh
title: BindingDB Entry 50046498: The interaction of 4-thiazolidinone derivatives containing indolin-2-one moiety with P-glycoprotein studied using K562 cell lines.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2sf2xzq
title: BindingDB Entry 50046505: 6-Hydroxy-1,2,4-triazine-3,5(2H,4H)-dione Derivatives as Novel D-Amino Acid Oxidase Inhibitors.

description: Small molecule binding data for protein D-Amino Acid Oxidase (DAAO), Uniprot P14920
DOI: 10.7270/q2st7rq6
title: BindingDB Entry 50047008: Discovery of novel S1P2 antagonists, part 3: Improving the oral bioavailability of a series of 1,3-bis(aryloxy)benzene derivatives.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95136, O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q2xk8hdg
title: BindingDB Entry 50047007: Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.

description: Small molecule binding data for protein DNA Gyrase and DNA gyrase, Uniprot P0A0K8 and P20831
DOI: 10.7270/q21c1zq3
title: BindingDB Entry 50047014: 7TM X-ray structures for class C GPCRs as new drug-discovery tools. 1. mGluR5.

description: Small molecule binding data for protein Metabotropic glutamate receptor and Metabotropic glutamate receptor 5, Uniprot P31424 and P41594
DOI: 10.7270/q22n5461
title: BindingDB Entry 50047523: Design, Synthesis, and Biological Evaluation of Indoline and Indole Derivatives as Potent and Selectivea1A-Adrenoceptor Antagonists.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P25100, P35348, and P35368
DOI: 10.7270/q251413s
title: BindingDB Entry 50047013: Novel thiol-based histone deacetylase inhibitors bearing 3-phenyl-1H-pyrazole-5-carboxamide scaffold as surface recognition motif: Design, synthesis and SAR study.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3/NCoR1, Histone deacetylase 4, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q28c9z1b
title: BindingDB Entry 50046509: Re-exploring the N-phenylpicolinamide derivatives to develop mGlu4 ligands with improved affinity and in vitro microsomal stability.

description: Small molecule binding data for protein GRM8, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGlu4), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 5, and Metabotropic glutamate receptor 6, Uniprot O00222, O15303, P31423, P41594, Q13255, Q14416, and Q14833
DOI: 10.7270/q28k7c22
title: BindingDB Entry 50048041: New, highly potent and non-toxic, chromone inhibitors of the human breast cancer resistance protein ABCG2.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2, Uniprot Q9UNQ0
DOI: 10.7270/q28s4rrh
title: BindingDB Entry 50047012: Towards new 5-HT7 antagonists among arylsulfonamide derivatives of (aryloxy)ethyl-alkyl amines: Multiobjective based design, synthesis, and antidepressant and anxiolytic properties.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P08908, P14416, P28223, P34969, and P50406
DOI: 10.7270/q2cc12nj
title: BindingDB Entry 50048048: Myrsinane, Premyrsinane, and Cyclomyrsinane Diterpenes from Euphorbia falcata as Potassium Ion Channel Inhibitors with Selective G Protein-Activated Inwardly Rectifying Ion Channel (GIRK) Blocking Effects.

description: Small molecule binding data for protein G protein-activated inward rectifier potassium channel 4, Uniprot P48544
DOI: 10.7270/q2dj5hg7
title: BindingDB Entry 50047011: Pyridazinone derivatives displaying highly potent and selective inhibitory activities against c-Met tyrosine kinase.

description: Small molecule binding data for protein AXL receptor tyrosine kinase, Ephrin receptor, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 1, Hepatocyte growth factor receptor, Insulin-like growth factor I receptor, MER intracellular domain/EGFR extracellular domain chimera, Macrophage-stimulating protein receptor, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase receptor FLT3, Tyrosine-protein kinase receptor TYRO3, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P00519, P00533, P04626, P08069, P08581, P09619, P11362, P12931, P16234, P17948, P29317, P30530, P35968, P36888, Q04912, Q06418, and Q12866
DOI: 10.7270/q2dz0b6t
title: BindingDB Entry 50047528: Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2), Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dual specificity protein kinase TTK, Mitogen-activated protein kinase 9, Serine/threonine-protein kinase PLK1, and c-Jun N-terminal kinase, JNK, Uniprot P05177, P08684, P10635, P11712, P20248, P24941, P33261, P33981, P45983, P45984, and P53350
DOI: 10.7270/q2h41tcw
title: BindingDB Entry 50048047: Synthesis and biological evaluation of C(5)-substituted derivatives of leukotriene biosynthesis inhibitor BRP-7.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P20292
DOI: 10.7270/q2j9687d
title: BindingDB Entry 50047010: Orally available stilbene derivatives as potent HDAC inhibitors with antiproliferative activities and antitumor effects in human tumor xenografts.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 11, Histone deacetylase 3/NCoR1, Histone deacetylase 4, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2jq12x4
title: BindingDB Entry 50047527: Structure-Based Design, Synthesis, and Biological Evaluation of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors.

description: Small molecule binding data for protein G protein-coupled receptor kinase 5, Rho-associated protein kinase, and Rhodopsin kinase, Uniprot P34947, Q13464, and Q15835
DOI: 10.7270/q2mw2k39
title: BindingDB Entry 50048046: Neolignans from the Arils of Myristica fragrans as Potent Antagonists of CC Chemokine Receptor 3.

description: Small molecule binding data for protein C-C chemokine receptor type 3, Uniprot P51677