cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2bk1h6v
title: BindingDB Entry 50014276: Structure-Enabled Discovery of Novel Macrocyclic Inhibitors Targeting Glutaminase 1 Allosteric Binding Site.

description: Small molecule binding data for protein Glutaminase kidney isoform, mitochondrial, Uniprot O94925
DOI: 10.7270/q2bp05tf
title: BindingDB Entry 9229: Compositions for binding sphingosine-1-phosphate receptor 1 (S1P1), imaging of S1P1, and methods of use thereof

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor 1, Sphingosine 1-phosphate receptor 2, Sphingosine 1-phosphate receptor 3, Sphingosine 1-phosphate receptor 4, and Sphingosine 1-phosphate receptor 5, Uniprot O95136, O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q2bp05vw
title: BindingDB Entry 9438: 4-carboxamido-isoindolinone derivatives as selective PARP-1 inhibitors

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1 and Poly [ADP-ribose] polymerase 2, Uniprot P09874 and Q9UGN5
DOI: 10.7270/q2bp05wb
title: BindingDB Entry 9616: Peptidomimetic α-Acyloxymethylketone Warheads with Six-Membered Lactam P1 Glutamine Mimic: SARS-CoV-2 3CL Protease Inhibition, Coronavirus Antiviral Activity, and

description: Small molecule binding data for protein Cathepsin B, Cathepsin S, and Replicase polyprotein 1ab, Uniprot P07858, P0DTD1, and P25774
DOI: 10.7270/q2bp05xs
title: BindingDB Entry 9825: RIP1 inhibitory compounds and methods for making and using the same

description: Small molecule binding data for protein Receptor-interacting serine/threonine-protein kinase 1, Uniprot Q13546
DOI: 10.7270/q2bp05z7
title: BindingDB Entry 10212: Bicyclic heteroarylaminoalkyl phenyl derivatives as PI3K inhibitors

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform and Tyrosine-protein kinase JAK1 [837-1142], Uniprot O00329 and P23458
DOI: 10.7270/q2bp0603
title: BindingDB Entry 10599: Benzenesulfonamide compounds and their use as therapeutic agents

description: Small molecule binding data for protein Sodium channel protein type 1 subunit alpha, Sodium channel protein type 5 subunit alpha, and Sodium channel protein type 8 subunit alpha, Uniprot P35498, Q14524, and Q9UQD0
DOI: 10.7270/q2bp061j
title: BindingDB Entry 50006724: Development of Pyridine-based Inhibitors for the Human Vaccinia-related Kinases 1 and 2.

description: Small molecule binding data for protein Serine/threonine-protein kinase VRK1 and Serine/threonine-protein kinase VRK2, Uniprot Q86Y07 and Q99986
DOI: 10.7270/q2bp0620
title: BindingDB Entry 50007314: Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.

description: Small molecule binding data for protein 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, Uniprot Q16875
DOI: 10.7270/q2bp063f
title: BindingDB Entry 50007660: Regioisomeric Family of Novel Fluorescent Substrates for SHIP2.

description: Small molecule binding data for protein Inositol polyphosphate-5-phosphatase A, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2, and Type II inositol 1,4,5-trisphosphate 5-phosphatase, Uniprot O15357, P32019, and Q14642
DOI: 10.7270/q2bp064w
title: BindingDB Entry 50007937: Discovery of Novel Small Molecule Dual Inhibitors Targeting Toll-Like Receptors

description: Small molecule binding data for protein Toll-like receptor 7 and Toll-like receptor 8, Uniprot Q9NR97 and Q9NYK1
DOI: 10.7270/q2bp065b
title: BindingDB Entry 50008270: Ligand-Based Fluorine NMR Screening: Principles and Applications in Drug Discovery Projects.

description: Small molecule binding data for protein Albumin, Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase, CD209 antigen, Complement factor D, Nuclear receptor subfamily 4 group A member 2, and Phosphopantetheine adenylyltransferase, Uniprot P00746, P02768, P0A6I6, P43354, Q9NNX6, and Q9Y223
DOI: 10.7270/q2bp066s
title: BindingDB Entry 50008917: Design, Synthesis, and Pharmacokinetic Evaluation of Phosphate and Amino Acid Ester Prodrugs for Improving the Oral Bioavailability of the HIV-1 Protease Inhibitor Atazanavir.

description: Small molecule binding data for protein Protease and UDP-glucuronosyltransferase 1A1, Uniprot P22309, Q64550, and Q9YQ12
DOI: 10.7270/q2bp0677
title: BindingDB Entry 50009536: Design, synthesis and biological evaluation of AZD9291 derivatives as selective and potent EGFR

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2bp068p
title: BindingDB Entry 50010135: Novel Sustainable-by-Design HDAC Inhibitors for the Treatment of Alzheimer's Disease.

description: Small molecule binding data for protein Histone deacetylase 1 and Histone deacetylase 6, Uniprot Q13547 and Q9UBN7
DOI: 10.7270/q2bp0694
title: BindingDB Entry 50010433: Design, synthesis and biological evaluation of 8-(2-amino-1-hydroxyethyl)-6-hydroxy-1,4-benzoxazine-3(4H)-one derivatives as potent β

description: Small molecule binding data for protein Beta-1 adrenergic receptor and Beta-2 adrenergic receptor, Uniprot P07550 and P08588
DOI: 10.7270/q2bp06bk
title: BindingDB Entry 50010714: Unexpected small molecules as novel SIRT2 suicide 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/q2bp06c1
title: BindingDB Entry 50011055: Discovery and Biological Evaluation of a Novel Highly Potent Selective Butyrylcholinsterase Inhibitor.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275, P06276, and P81908
DOI: 10.7270/q2bp06dg
title: BindingDB Entry 50011344: TBA

description: Small molecule binding data for protein Cystic fibrosis transmembrane conductance regulator, Uniprot P13569
DOI: 10.7270/q2bp06fx
title: BindingDB Entry 50011680: Discovery of Hydroxyamidine Derivatives as Highly Potent, Selective Indoleamine-2,3-dioxygenase 1 Inhibitors.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1 and Tryptophan 2,3-dioxygenase, Uniprot P14902 and P48775
DOI: 10.7270/q2bp06gc
title: BindingDB Entry 50012300: 2-Anilinoquinoline based arylamides as broad spectrum anticancer agents with B-RAF

description: Small molecule binding data for protein Epithelial discoidin domain-containing receptor 1, High affinity nerve growth factor receptor, RAF proto-oncogene serine/threonine-protein kinase, and Serine/threonine-protein kinase B-raf, Uniprot P04049, P04629, P15056, and Q08345
DOI: 10.7270/q2bp06ht
title: BindingDB Entry 50012930: Discovery of a Cyclic Choline Analog That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria.

description: Small molecule binding data for protein Choline trimethylamine-lyase, Uniprot Q30W70
DOI: 10.7270/q2bp06j8
title: BindingDB Entry 50013568: Discovery of N-substituted sulfamoylbenzamide derivatives as novel inhibitors of STAT3 signaling pathway based on Niclosamide.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2bp06kq
title: BindingDB Entry 50013925: Discovery of selective fragment-sized immunoproteasome inhibitors.

description: Small molecule binding data for protein Proteasome subunit beta type-5 and Proteasome subunit beta type-8, Uniprot P28062 and P28074
DOI: 10.7270/q2bp06m5
title: BindingDB Entry 50014239: Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.

description: Small molecule binding data for protein Mitogen-activated protein kinase 1, Uniprot P28482
DOI: 10.7270/q2bp06nm
title: BindingDB Entry 50014594: Homophymamide A, Heterodetic Cyclic Tetrapeptide from a

description: Small molecule binding data for protein Carboxypeptidase B, Uniprot P09955
DOI: 10.7270/q2br8w77
title: BindingDB Entry 9407: Fused pyrimidine compound or salt thereof

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase receptor Ret, Uniprot P07949
DOI: 10.7270/q2br8w8p
title: BindingDB Entry 9794: Chemical compounds

description: Small molecule binding data for protein Estrogen receptor [307-554], Uniprot P03372
DOI: 10.7270/q2br8w94
title: BindingDB Entry 10003: Dihydropyrimidinyl benzazepine carboxamide compounds

description: Small molecule binding data for protein Toll-like receptor 7 and Toll-like receptor 8, Uniprot Q9NR97 and Q9NYK1
DOI: 10.7270/q2br8wbk
title: BindingDB Entry 10181: Neuroactive steroids, compositions, and uses thereof

description: Small molecule binding data for protein Gamma-aminobutyric acid (GABA) B receptor 1, Uniprot Q6MFX8
DOI: 10.7270/q2br8wc1
title: BindingDB Entry 10390: Cannabinoid receptor modulators

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2br8wdg
title: BindingDB Entry 10777: Bcl-2 inhibitors

description: Small molecule binding data for protein Apoptosis regulator Bcl-2 [G101V], Bcl-2-like protein 1, and Cytochrome P450 2C9, Uniprot P10415, P11712, and Q07817
DOI: 10.7270/q2br8wfx
title: BindingDB Entry 50007001: Overview of Recent Strategic Advances in Medicinal Chemistry.

description: Small molecule binding data for protein Envelope glycoprotein gp160, Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 6, Histone deacetylase 8, Non-receptor tyrosine-protein kinase TYK2, Nuclear receptor corepressor 1, Protease, Reverse transcriptase, Sodium- and chloride-dependent GABA transporter 1, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O15379, O60674, O75376, P23458, P23978, P29597, P52333, P56524, Q13547, Q6QLK5, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, Q9WKE8, and Q9YQ12
DOI: 10.7270/q2br8wgc
title: BindingDB Entry 50007615: Indole: A privileged scaffold for the design of anti-cancer agents.

description: Small molecule binding data for protein Aromatase, Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 6, Histone deacetylase 8, Induced myeloid leukemia cell differentiation protein Mcl-1, Polyamine deacetylase HDAC10, Sigma non-opioid intracellular receptor 1, and Similar to alpha-tubulin isoform 1, Uniprot O15379, P11511, P56524, Q07820, Q13547, Q60492, Q862L2, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q2br8wht
title: BindingDB Entry 50008220: Rigidification Dramatically Improves Inhibitor Selectivity for RAF Kinases.

description: Small molecule binding data for protein Serine/threonine-protein kinase B-raf, Uniprot P15056
DOI: 10.7270/q2br8wj8
title: BindingDB Entry 50008542: Synthesis and Structure-Activity Relationship Studies of C2-Modified Analogs of the Antimycobacterial Natural Product Pyridomycin.

description: Small molecule binding data for protein Enoyl-[acyl-carrier-protein] reductase [NADH], Uniprot P9WGR1
DOI: 10.7270/q2br8wkq
title: BindingDB Entry 50008867: Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2br8wm5
title: BindingDB Entry 50009199: Toward a treatment of diabesity: In vitro and in vivo evaluation of uncharged bromophenol derivatives as a new series of PTP1B inhibitors.

description: Small molecule binding data for protein Receptor-type tyrosine-protein phosphatase F, Tyrosine-protein phosphatase non-receptor type 1, Tyrosine-protein phosphatase non-receptor type 11, Tyrosine-protein phosphatase non-receptor type 2, and Tyrosine-protein phosphatase non-receptor type 6, Uniprot P10586, P17706, P18031, P29350, and Q06124
DOI: 10.7270/q2br8wnm
title: BindingDB Entry 50009820: Monothiocarbamates Strongly Inhibit Carbonic Anhydrases in Vitro and Possess Intraocular Pressure Lowering Activity in an Animal Model of Glaucoma.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2br8wp2
title: BindingDB Entry 50010395: Discovery of

description: Small molecule binding data for protein NACHT, LRR and PYD domains-containing protein 3, Uniprot Q96P20
DOI: 10.7270/q2br8wqh
title: BindingDB Entry 50011009: Novel anticancer drug curaxin CBL0137 impairs DNA methylation by eukaryotic DNA methyltransferase Dnmt3a.

description: Small molecule binding data for protein DNA (cytosine-5)-methyltransferase 3A, Uniprot O88508 and Q9Y6K1
DOI: 10.7270/q2br8wrz
title: BindingDB Entry 50011628: N-(Methyloxycarbonyl)thiophene sulfonamides as high affinity AT2 receptor ligands.

description: Small molecule binding data for protein Cytochrome P450 2B6, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Type-1 angiotensin II receptor, and Type-2 angiotensin II receptor, Uniprot P08684, P10635, P11712, P20813, P30556, and P50052
DOI: 10.7270/q2br8wsd
title: BindingDB Entry 50011984: Design and synthesis of a bivalent probe targeting the putative mu opioid receptor and chemokine receptor CXCR4 heterodimer.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 and Mu-type opioid receptor, Uniprot P42866 and P61073
DOI: 10.7270/q2br8wtv
title: BindingDB Entry 50012254: Design, synthesis and in vitro cell-free/cell-based biological evaluations of novel ERCC1-XPF inhibitors targeting DNA repair pathway.

description: Small molecule binding data for protein DNA repair endonuclease XPF, Uniprot Q92889
DOI: 10.7270/q2br8wv9
title: BindingDB Entry 50012599: Design and Synthesis of Cajanine Analogues against Hepatitis C Virus through Down-Regulating Host Chondroitin Sulfate N-Acetylgalactosaminyltransferase 1.

description: Small molecule binding data for protein Nonstructural protein 5A and RNA-directed RNA polymerase, Uniprot Q5L478 and Q8JXU8
DOI: 10.7270/q2br8wwr
title: BindingDB Entry 50013236: Discovery of N-[Bis(4-methoxyphenyl)methyl]-4-hydroxy-2-(pyridazin-3-yl)pyrimidine-5-carboxamide (MK-8617), an Orally Active Pan-Inhibitor of Hypoxia-Inducible Factor Prolyl Hydroxylase 1-3 (HIF PHD1-3) for the Treatment of Anemia.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Egl nine homolog 1, Prolyl hydroxylase EGLN2, and Prolyl hydroxylase EGLN3, Uniprot P05177, P08684, P10632, P10635, P11712, P20813, P33261, P40989, Q96KS0, Q9GZT9, and Q9H6Z9
DOI: 10.7270/q2br8wx6
title: BindingDB Entry 50013874: Alkyne-Bridged α-Conotoxin Vc1.1 Potently Reverses Mechanical Allodynia in Neuropathic Pain Models.

description: Small molecule binding data for protein Gamma-aminobutyric acid type B receptor subunit 1/2, Uniprot O75899 and Q9UBS5
DOI: 10.7270/q2br8wzn
title: BindingDB Entry 50014527: Development of peptide epoxyketones as selective immunoproteasome inhibitors.

description: Small molecule binding data for protein Proteasome subunit alpha type-1, Proteasome subunit beta type-10, Proteasome subunit beta type-4, Proteasome subunit beta type-5, Proteasome subunit beta type-8, and Proteasome subunit beta type-9, Uniprot P25786, P28062, P28065, P28070, P28074, and P40306
DOI: 10.7270/q2bv7kp0
title: BindingDB Entry 9198: Therapeutic compounds and uses thereof

description: Small molecule binding data for protein CREB-binding protein, Uniprot Q92793
DOI: 10.7270/q2bv7kqf
title: BindingDB Entry 9585: Pet imaging agents

description: Small molecule binding data for protein Ataxin-1, Uniprot P54253
DOI: 10.7270/q2bv7krw
title: BindingDB Entry 9972: Metalloenzyme inhibitor compounds

description: Small molecule binding data for protein Cytochrome P450 11B1, mitochondrial and Cytochrome P450 11B2, mitochondrial, Uniprot P15538 and P19099
DOI: 10.7270/q2bv7ksb
title: BindingDB Entry 10359: DIHYDROOROTATE DEHYDROGENASE INHIBITORS

description: Small molecule binding data for protein Dihydroorotate dehydrogenase (quinone), mitochondrial, Uniprot Q02127
DOI: 10.7270/q2bv7kts
title: BindingDB Entry 10568: Pyrazole compound

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2C and Sodium-dependent serotonin transporter, Uniprot P28335 and P31645
DOI: 10.7270/q2bv7kv7
title: BindingDB Entry 10746: 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/q2bv7kwp
title: BindingDB Entry 50006678: Modifications at Arg and Ile Give Neurotensin(8-13) Derivatives with High Stability and Retained NTS

description: Small molecule binding data for protein Neurotensin receptor type 1, Uniprot P30989
DOI: 10.7270/q2bv7kx4
title: BindingDB Entry 50006948: In Silico Discovery of JMJD6 Inhibitors for Cancer Treatment.

description: Small molecule binding data for protein Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, Uniprot Q6NYC1
DOI: 10.7270/q2bv7kzk
title: BindingDB Entry 50007269: Peptidomimetic plasmepsin inhibitors with potent anti-malarial activity and selectivity against cathepsin D.

description: Small molecule binding data for protein Cathepsin D, Plasmepsin I, Plasmepsin II, and Plasmepsin IV [1-448], Uniprot P07339, P39898, P46925, and Q8IM16
DOI: 10.7270/q2bv7m0f
title: BindingDB Entry 50007877: Novel phenanthridin-6(5H)-one derivatives as potent and selective BET bromodomain inhibitors: Rational design, synthesis and biological evaluation.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2bv7m1w
title: BindingDB Entry 50008484: Identification of a Multitargeted Tyrosine Kinase Inhibitor for the Treatment of Gastrointestinal Stromal Tumors and Acute Myeloid Leukemia.

description: Small molecule binding data for protein High affinity nerve growth factor receptor, Mast/stem cell growth factor receptor Kit, Proto-oncogene tyrosine-protein kinase Src, and Receptor-type tyrosine-protein kinase FLT3, Uniprot P04629, P10721, P12931, and P36888
DOI: 10.7270/q2bv7m2b
title: BindingDB Entry 50009139: Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA).

description: Small molecule binding data for protein BDNF/NT-3 growth factors receptor, High affinity nerve growth factor receptor, and Transcription factor NF-E2 45 kDa subunit, Uniprot P04629, P35739, Q16620, and Q16621
DOI: 10.7270/q2bv7m3s
title: BindingDB Entry 50009484: 6-Substituted amiloride derivatives as inhibitors of the urokinase-type plasminogen activator for use in metastatic disease.

description: Small molecule binding data for protein Coagulation factor X, Coagulation factor XI, Plasma kallikrein, Plasminogen, Prothrombin, Serine protease 1/Trypsin-2/Trypsin-3, Tissue-type plasminogen activator, Urokinase-type plasminogen activator, and Vitamin K-dependent protein C, Uniprot P00734, P00742, P00747, P00749, P00750, P03951, P03952, P04070, P06869, P07477, P07478, and P35030
DOI: 10.7270/q2bv7m47
title: BindingDB Entry 50009773: Discovery, synthesis and characterization of a series of (1-alkyl-3-methyl-1H-pyrazol-5-yl)-2-(5-aryl-2H-tetrazol-2-yl)acetamides as novel GIRK1/2 potassium channel activators.

description: Small molecule binding data for protein G protein-activated inward rectifier potassium channel 1 and G protein-activated inward rectifier potassium channel 4, Uniprot P48544 and P48549
DOI: 10.7270/q2bv7m5p
title: BindingDB Entry 50010095: Dual action Smac mimetics-zinc chelators as pro-apoptotic antitumoral agents.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase XIAP, Uniprot P98170
DOI: 10.7270/q2bv7m64
title: BindingDB Entry 50010661: Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 4, Uniprot O43570, P00915, P00918, and P22748
DOI: 10.7270/q2bv7m7k
title: BindingDB Entry 50011295: Matrix Metalloproteinases as New Targets in Alzheimer's Disease: Opportunities and Challenges.

description: Small molecule binding data for protein 72 kDa type IV collagenase, Macrophage metalloelastase, Matrilysin, Matrix metalloproteinase-14, Matrix metalloproteinase-9, and Stromelysin-1, Uniprot P08253, P08254, P09237, P14780, P39900, and P50281
DOI: 10.7270/q2bv7m81
title: BindingDB Entry 50011927: Design, synthesis and evaluation of PD-L1 peptide antagonists as new anticancer agents for immunotherapy.

description: Small molecule binding data for protein Programmed cell death 1 ligand 1, Uniprot Q9NZQ7
DOI: 10.7270/q2bv7m9g
title: BindingDB Entry 50012553: Synthesis, anti-inflammatory, analgesic, COX-1/2 inhibitory activities and molecular docking studies of substituted 2-mercapto-4(3H)-quinazolinones.

description: Small molecule binding data for protein Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2, Uniprot P05979 and P79208
DOI: 10.7270/q2bv7mbx
title: BindingDB Entry 50012884: Design, synthesis and SAR study of 2-aminopyrimidines with diverse Michael addition acceptors for chemically tuning the potency against EGFR

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2bv7mcc
title: BindingDB Entry 50013188: Discovery of novel Hsp90 C-terminal domain inhibitors that disrupt co-chaperone binding.

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha/90-beta, Uniprot P07900 and P08238
DOI: 10.7270/q2bv7mdt
title: BindingDB Entry 50013523: Discovery and Characterization of Selective and Ligand-Efficient DYRK Inhibitors.

description: Small molecule binding data for protein Calcium/calmodulin-dependent protein kinase type 1B, Dual specificity protein kinase CLK1, Dual specificity protein kinase CLK2, Dual specificity protein kinase CLK4, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Dual specificity tyrosine-phosphorylation-regulated kinase 1B, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Homeodomain-interacting protein kinase 2, MAP kinase-interacting serine/threonine-protein kinase 2, STE20/SPS1-related proline-alanine-rich protein kinase, Serine/threonine-protein kinase WNK2, Serine/threonine-protein kinase haspin, and Tyrosine-protein kinase JAK3, Uniprot P49759, P49760, P52333, Q13627, Q6P2M8, Q8TF76, Q92630, Q9H2X6, Q9HAZ1, Q9HBH9, Q9UEW8, Q9Y3S1, and Q9Y463
DOI: 10.7270/q2bv7mf8
title: BindingDB Entry 50014178: Structure Activity Relationships for a Series of Eticlopride-Based Dopamine D

description: Small molecule binding data for protein D(2) dopamine receptor and D(3) dopamine receptor, Uniprot P14416 and P35462
DOI: 10.7270/q2bz6928
title: BindingDB Entry 9167: Fused pyrimidine derivatives

description: Small molecule binding data for protein Amyloid-beta precursor protein [672-713], Uniprot P05067
DOI: 10.7270/q2bz693q
title: BindingDB Entry 9376: 2-aryl- and 2-heteroaryl-substituted 2-pyridazin-3(2H)-one compounds as inhibitors of FGFR tyrosine kinases

description: Small molecule binding data for protein Fibroblast growth factor receptor 1 [308-731], Fibroblast growth factor receptor 2 [403-822], and Fibroblast growth factor receptor 3 [397-806], Uniprot P11362, P21802, and P22607
DOI: 10.7270/q2bz6945
title: BindingDB Entry 9554: Inhibitors of phosphatidylinositol 3-kinase gamma

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot P48736