cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2wq076h
title: BindingDB Entry 50008517: Docking Finds GPCR Ligands in Dark Chemical Matter.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, D(3) dopamine receptor, and D(4) dopamine receptor, Uniprot P21917, P29274, P30542, and P35462
DOI: 10.7270/q2wq077z
title: BindingDB Entry 50009177: Second-Generation FGFR Inhibitors for the Treatment of Cancers Harboring Mutated FGFRs.

description: Small molecule binding data for protein Fibroblast growth factor receptor 3, Uniprot P22607
DOI: 10.7270/q2wq078d
title: BindingDB Entry 50009802: Plumbagin, Juglone, and Boropinal as Novel TRPA1 Agonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot O75762
DOI: 10.7270/q2wq079v
title: BindingDB Entry 50010372: Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, and Glycogen synthase kinase-3 beta, Uniprot P08684, P10635, P11712, P40989, P49841, and Q13627
DOI: 10.7270/q2wq07b9
title: BindingDB Entry 50010690: Synthesis and biological evaluation of FICZ analogues as agonists of aryl hydrocarbon receptor.

description: Small molecule binding data for protein Aryl hydrocarbon receptor, Uniprot P35869
DOI: 10.7270/q2wq07cr
title: BindingDB Entry 50010987: Synthesis and evaluation of novel sulfonamide analogues of 6/7-aminoflavones as anticancer agents via topoisomerase II inhibition.

description: Small molecule binding data for protein DNA topoisomerase 2-alpha, Uniprot P11388
DOI: 10.7270/q2wq07d6
title: BindingDB Entry 50011324: Bioisosteric substitution of adamantane with bicyclic lipophilic groups improves water solubility of human soluble epoxide hydrolase inhibitors.

description: Small molecule binding data for protein Bifunctional epoxide hydrolase 2, Uniprot P34913
DOI: 10.7270/q2wq07fn
title: BindingDB Entry 50011969: Tumor-Targeted Bivalent Protein Degradation for Application in Cancer Therapy.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2wq07g3
title: BindingDB Entry 50012581: Synthesis and Pin1 inhibitory activity of thiazole derivatives.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Uniprot Q13526
DOI: 10.7270/q2wq07hj
title: BindingDB Entry 50013212: Thienopyridinyl and Thiazolopyridinyl Compounds as IRAK4 Inhibitors.

description: Small molecule binding data for protein Interleukin-1 receptor-associated kinase 4, Uniprot Q9NWZ3
DOI: 10.7270/q2wq07j0
title: BindingDB Entry 50013852: Design, synthesis and biological evaluation of novel 2-(4-(1H-indazol-6-yl)-1H-pyrazol-1-yl)acetamide derivatives as potent VEGFR-2 inhibitors.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2wq07kf
title: BindingDB Entry 50014224: Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.

description: Small molecule binding data for protein AP2-associated protein kinase 1, Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, BMP-2-inducible protein kinase, Citron Rho-interacting kinase, Cyclin-G-associated kinase, Dual specificity protein kinase CLK4, Kappa-type opioid receptor, MAP kinase-interacting serine/threonine-protein kinase 1, MAP kinase-interacting serine/threonine-protein kinase 2, Mu-type opioid receptor, Protein kinase C theta type, Serine/threonine-protein kinase haspin, Sodium-dependent noradrenaline transporter, Sodium-dependent serotonin transporter, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and cAMP-dependent protein kinase catalytic subunit PRKX, Uniprot O14578, O14976, O60674, P08913, P18825, P23458, P23975, P31645, P35372, P41145, P51817, Q04759, Q2M2I8, Q8TF76, Q9BUB5, Q9HAZ1, Q9HBH9, and Q9NSY1
DOI: 10.7270/q2wq07mw
title: BindingDB Entry 50014506: Design, synthesis of novel celastrol derivatives and study on their antitumor growth through HIF-1α pathway.

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha, Uniprot Q16665
DOI: 10.7270/q2ws8x8d
title: BindingDB Entry 9186: OXA-Diazaspiro compounds having activity against pain

description: Small molecule binding data for protein Sigma non-opioid intracellular receptor 1, Uniprot Q99720
DOI: 10.7270/q2ws8x9v
title: BindingDB Entry 9573: Benzoxazepin oxazolidinone compounds and methods of use

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q2ws8xb9
title: BindingDB Entry 9960: Poly-ADP ribose polymerase (PARP) 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/q2ws8xcr
title: BindingDB Entry 10169: 6-aryl-7-substituted-3-(1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines as inhibitors of the STAT3 pathway with anti-proliferative activity

description: Small molecule binding data for protein Signal transducer and activator of transcription 1-alpha/beta and Signal transducer and activator of transcription 3, Uniprot P40763 and P42224
DOI: 10.7270/q2ws8xd6
title: BindingDB Entry 10347: Compounds targeting PRMT5

description: Small molecule binding data for protein Methylosome protein 50/Protein arginine N-methyltransferase 5, Uniprot O14744 and Q9BQA1
DOI: 10.7270/q2ws8xfn
title: BindingDB Entry 10556: Benzofuran, benzothiophene, and indole analogs that inhibit the formation of tau oligomers and their method of use

description: Small molecule binding data for protein Microtubule-associated protein tau, Uniprot P10636
DOI: 10.7270/q2ws8xg3
title: BindingDB Entry 50004434: Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity.

description: Small molecule binding data for protein Tyrosine-protein kinase Fer, Uniprot P16591
DOI: 10.7270/q2ws8xhj
title: BindingDB Entry 50007243: Design, synthesis and evaluation of pentacycloundecane and hexacycloundecane propargylamine derivatives as multifunctional neuroprotective agents.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2ws8xj0
title: BindingDB Entry 50007860: Inhibitory selectivity among class I HDACs has a major impact on inflammatory gene expression in macrophages.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, and Histone deacetylase 3/Nuclear receptor corepressor 2, Uniprot O15379, Q13547, Q92769, and Q9Y618
DOI: 10.7270/q2ws8xkf
title: BindingDB Entry 50008194: Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 3A4, Interleukin-1 receptor type 1, Nucleotide-binding oligomerization domain-containing protein 2, Receptor-interacting serine/threonine-protein kinase 2, Toll-like receptor 2, Toll-like receptor 4, Toll-like receptor 7, and Toll-like receptor 9, Uniprot G3V783, O00206, O43353, O60603, P08684, P14778, P40989, Q9HC29, Q9NR96, and Q9NYK1
DOI: 10.7270/q2ws8xmw
title: BindingDB Entry 50008468: Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Leukotriene C4 synthase, Uniprot P05177, P08684, P10635, P11712, P33261, and Q16873
DOI: 10.7270/q2ws8xnb
title: BindingDB Entry 50008848: Discovery and Biological evaluation of pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione derivatives as potent Bruton's tyrosine kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and Tyrosine-protein kinase BTK, Uniprot P00533 and Q06187
DOI: 10.7270/q2ws8xps
title: BindingDB Entry 50009116: Malabaricone C as Natural Sphingomyelin Synthase Inhibitor against Diet-Induced Obesity and Its Lipid Metabolism in Mice.

description: Small molecule binding data for protein Phosphatidylcholine:ceramide cholinephosphotransferase 1 and Phosphatidylcholine:ceramide cholinephosphotransferase 2, Uniprot Q86VZ5, Q8NHU3, Q8VCQ6, and Q9D4B1
DOI: 10.7270/q2ws8xq7
title: BindingDB Entry 50009463: Novel berberine-based derivatives with potent hypoglycemic activity.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor gamma, Uniprot P37231
DOI: 10.7270/q2ws8xrp
title: BindingDB Entry 50010077: Novel tricyclic poly (ADP-ribose) polymerase-1/2 inhibitors with potent anticancer chemopotentiating activity: Design, synthesis and biological evaluation.

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/q2ws8xs4
title: BindingDB Entry 50010633: Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2ws8xtk
title: BindingDB Entry 50011275: A novel indirubin derivative that increases somatic cell plasticity and inhibits tumorigenicity.

description: Small molecule binding data for protein Aurora kinase A and Glycogen synthase kinase-3 beta, Uniprot O14965 and P49841
DOI: 10.7270/q2ws8xv1
title: BindingDB Entry 50011614: Pyrazolo[1,5-a]pyrimidine based Trk inhibitors: Design, synthesis, biological activity evaluation.

description: Small molecule binding data for protein BDNF/NT-3 growth factors receptor, High affinity nerve growth factor receptor, and NT-3 growth factor receptor, Uniprot P04629, Q16288, and Q16620
DOI: 10.7270/q2ws8xwg
title: BindingDB Entry 50011903: Lead optimization of the VU0486321 series of mGlu

description: Small molecule binding data for protein Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2, Metabotropic glutamate receptor 3, Metabotropic glutamate receptor 4, Metabotropic glutamate receptor 5, Metabotropic glutamate receptor 6, Metabotropic glutamate receptor 7, and Metabotropic glutamate receptor 8, Uniprot O00222, O15303, P41594, Q13255, Q14416, Q14831, Q14832, and Q14833
DOI: 10.7270/q2ws8xxx
title: BindingDB Entry 50012238: Structure-based design, synthesis and bioactivity evaluation of macrocyclic inhibitors of mutant isocitrate dehydrogenase 2 (IDH2) displaying activity in acute myeloid leukemia cells.

description: Small molecule binding data for protein Isocitrate dehydrogenase [NADP], mitochondrial, Uniprot P48735
DOI: 10.7270/q2ws8xzc
title: BindingDB Entry 50012858: Boronic acid-based arginase inhibitors in cancer immunotherapy.

description: Small molecule binding data for protein Arginase-1 and Arginase-2, mitochondrial, Uniprot P05089, P07824, and P78540
DOI: 10.7270/q2ws8z07
title: BindingDB Entry 50013503: Hepatoselective Dihydroquinolizinone Bis-acids for HBsAg mRNA Degradation.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, and Cytochrome P450 3A4, Uniprot P05177, P05181, P08684, P10632, P10635, P11509, P11712, P20813, and P33261
DOI: 10.7270/q2ws8z1p
title: BindingDB Entry 50014158: Rapid Evaluation of Small Molecule Cellular Target Engagement with a Luminescent Thermal Shift Assay.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2ww7ms2
title: BindingDB Entry 9364: 1-pyridazin-/triazin-3-yl-piper(-azine)/idine/pyrolidine derivatives and compositions thereof for inhibiting the activity of SHP2

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 11, Uniprot Q06124
DOI: 10.7270/q2ww7mth
title: BindingDB Entry 9751: Nurr1:RXR activating compounds for simultaneous treatment of symptoms and pathology of Parkinson's disease

description: Small molecule binding data for protein Retinoic acid receptor RXR-alpha, Uniprot P19793
DOI: 10.7270/q2ww7mvz
title: BindingDB Entry 10138: Inhibitors of hepatitis C virus replication

description: Small molecule binding data for protein Genome polyprotein, Uniprot P26662
DOI: 10.7270/q2ww7mwd
title: BindingDB Entry 10525: Macrocyclic fluorine substituted indole derivatives

description: Small molecule binding data for protein Apoptosis regulator Bcl-2 [1-211], Bcl-2-like protein 1 [1-212], and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07817, and Q07820
DOI: 10.7270/q2ww7mxv
title: BindingDB Entry 10734: Heteroaryl inhibitors of PDE4

description: Small molecule binding data for protein Isoform 7 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, cAMP-specific 3',5'-cyclic phosphodiesterase 4B [S133D], and cAMP-specific 3',5'-cyclic phosphodiesterase 4D7 [S54D], Uniprot Q07343 and Q08499
DOI: 10.7270/q2ww7mz9
title: BindingDB Entry 10912: Inhibitors of blood coagulation factor XIII

description: Small molecule binding data for protein Coagulation factor XIII A chain, Coagulation factor XIII A/B chain, Coagulation factor XIII B chain, Protein-glutamine gamma-glutamyltransferase 2, Protein-glutamine gamma-glutamyltransferase 6, Protein-glutamine gamma-glutamyltransferase E, Protein-glutamine gamma-glutamyltransferase K, and Protein-glutamine gamma-glutamyltransferase Z, Uniprot A0A7N9D9X7, A0A8C0MWE2, G1SEL4, K7GQL2, O08619, O95932, P00488, P05160, P21980, P22735, Q08188, Q8BH61, and Q96PF1
DOI: 10.7270/q2ww7n05
title: BindingDB Entry 50006933: Synthesis, biological and molecular dynamics investigations with a series of triazolopyrimidine/triazole-based benzenesulfonamides as novel carbonic anhydrase inhibitors.

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/q2ww7n1m
title: BindingDB Entry 50007544: Peptide-based covalent inhibitors of MALT1 paracaspase.

description: Small molecule binding data for protein Mucosa-associated lymphoid tissue lymphoma translocation protein 1, Uniprot Q9UDY8
DOI: 10.7270/q2ww7n22
title: BindingDB Entry 50008149: Developments in the anticancer activity of structurally modified curcumin: An up-to-date review.

description: Small molecule binding data for protein Tyrosine-protein kinase ABL1, Uniprot P00519
DOI: 10.7270/q2ww7n3h
title: BindingDB Entry 50008793: Synthesis of new arylsulfonylspiroimidazolidine-2',4'-diones and study of their effect on stimulation of insulin release from MIN6 cell line, inhibition of human aldose reductase, sorbitol accumulations in various tissues and oxidative stress.

description: Small molecule binding data for protein Aldo-keto reductase family 1 member B1, Uniprot P07943 and P15121
DOI: 10.7270/q2ww7n4z
title: BindingDB Entry 50009411: Novel reverse thia-analogs of fosmidomycin: Synthesis and antiplasmodial activity.

description: Small molecule binding data for protein 1-deoxy-D-xylulose 5-phosphate reductoisomerase and 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, Uniprot P45568, P9WNS1, and Q8IKG4
DOI: 10.7270/q2ww7n5d
title: BindingDB Entry 50009753: Osthenol, a prenylated coumarin, as a monoamine oxidase A inhibitor with high selectivity.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] A, and Amine oxidase [flavin-containing] B, Uniprot O42275, P21396, P21397, P27338, and Q64133
DOI: 10.7270/q2ww7n6v
title: BindingDB Entry 50010023: Comparative Analysis of Binding Kinetics and Thermodynamics of Dipeptidyl Peptidase-4 Inhibitors and Their Relationship to Structure.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Dipeptidyl peptidase 4, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, and Muscarinic acetylcholine receptor M3, Uniprot P08172, P11229, P20309, P27487, and P40989
DOI: 10.7270/q2ww7n79
title: BindingDB Entry 50010333: Design, synthesis and biological evaluation of mogrol derivatives as a novel class of AMPKα2β1γ1 activators.

description: Small molecule binding data for protein 5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1, Uniprot P54619, P54646, and Q9Y478
DOI: 10.7270/q2ww7n8r
title: BindingDB Entry 50010942: Optimization and biological evaluation of imidazopyridine derivatives as a novel scaffold for γ-secretase modulators with oral efficacy against cognitive deficits in Alzheimer's disease model mice.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Presenilin-1, Uniprot P05177, P10635, P11712, P33261, and P49768
DOI: 10.7270/q2ww7n96
title: BindingDB Entry 50011567: Pyridine alkaloids with activity in the central nervous system.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 3A, Acetylcholinesterase, B2 bradykinin receptor, Carboxylic ester hydrolase, Cholecystokinin receptor type A, Cholinesterase, D(3) dopamine receptor, Dopamine beta-hydroxylase, Endothelin receptor type B, Endothelin-1 receptor, Gamma-aminobutyric acid receptor subunit alpha-1/beta-1, Gastrin/cholecystokinin type B receptor, Histamine H3 receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Neuronal acetylcholine receptor subunit alpha-3/beta-4, Neuronal acetylcholine receptor subunit alpha-4/beta-2, Neuronal acetylcholine receptor subunit alpha-7, Neuropeptide Y receptor type 2, and Thromboxane A2 receptor, Uniprot O42275, P04757, P06276, P08172, P08219, P08220, P08482, P08483, P08908, P09483, P10980, P11229, P12390, P12392, P15101, P17787, P20309, P21731, P22303, P23795, P24530, P25101, P28223, P30411, P30926, P32238, P32239, P32297, P35462, P36544, P37136, P43681, P46098, P49146, P81908, Q05941, Q9JKC1, and Q9Y5N1
DOI: 10.7270/q2ww7nbn
title: BindingDB Entry 50012182: Discovery of 4-amino-1H-pyrazolo[3,4-d]pyrimidin derivatives as novel discoidin domain receptor 1 (DDR1) inhibitors.

description: Small molecule binding data for protein Epithelial discoidin domain-containing receptor 1, Uniprot Q08345
DOI: 10.25345/c5jm23r7x
title: MassIVE MSV000091362 - RECQ4 Q757X CB IP 2019 - Nature Communications 2023
title: Comparison of RECQ4 WT and Q757X chromatin-bound complexes
DOI: 10.7270/q2ww7nc3
title: BindingDB Entry 50012532: Cyclooxygenase-2 and 15-lipoxygenase inhibition, synthesis, anti-inflammatory activity and ulcer liability of new celecoxib analogues: Determination of region-specific pyrazole ring formation by NOESY.

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/q2ww7ndj
title: BindingDB Entry 50012807: Discovery, synthesis and characterization of a series of 7-aryl-imidazo[1,2-a]pyridine-3-ylquinolines as activin-like kinase (ALK) inhibitors.

description: Small molecule binding data for protein Activin receptor type-1, Activin receptor type-1B, Bone morphogenetic protein receptor type-1A, Bone morphogenetic protein receptor type-1B, Bone morphogenetic protein receptor type-2, Platelet-derived growth factor receptor beta, Serine/threonine-protein kinase receptor R3, TGF-beta receptor type-1, TGF-beta receptor type-2, and Vascular endothelial growth factor receptor 2, Uniprot O00238, P09619, P35968, P36894, P36896, P36897, P37023, P37173, Q04771, and Q13873
DOI: 10.7270/q2ww7nf0
title: BindingDB Entry 50013169: Multitargeting application of proline-derived peptidomimetics addressing cancer-related human matrix metalloproteinase 9 and carbonic anhydrase II.

description: Small molecule binding data for protein 72 kDa type IV collagenase, Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 9, and Matrix metalloproteinase-9, Uniprot O43570, P00915, P00918, P08253, P14780, and Q16790
DOI: 10.7270/q2ww7ngf
title: BindingDB Entry 50013803: Kojic acid-natural product conjugates as mushroom tyrosinase inhibitors.

description: Small molecule binding data for protein Polyphenol oxidase 2 and Tyrosinase, Uniprot O42713 and P14679
DOI: 10.7270/q2ww7nhw
title: BindingDB Entry 50014459: Potent SARS-CoV-2 mRNA Cap Methyltransferase Inhibitors by Bioisosteric Replacement of Methionine in SAM Cosubstrate.

description: Small molecule binding data for protein Glycine N-methyltransferase, Uniprot Q14749
DOI: 10.7270/q2x06b29
title: BindingDB Entry 9155: 5-5 fused rings as C5a inhibitors

description: Small molecule binding data for protein C5a anaphylatoxin chemotactic receptor 1, Uniprot P21730
DOI: 10.7270/q2x06b3r
title: BindingDB Entry 9333: 1,3,5-triazine derivative and method of using same

description: Small molecule binding data for protein Isocitrate dehydrogenase [NADP], mitochondrial [40-452,R172K], Uniprot P48735
DOI: 10.7270/q2x06b46
title: BindingDB Entry 9542: Fused amino pyridine as HSP90 inhibitors

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha and Isocitrate dehydrogenase [NADP] cytoplasmic [R132H], Uniprot O75874 and P07900
DOI: 10.7270/q2x06b5n
title: BindingDB Entry 9720: Benzothiazole derivatives as DYRK1 inhibitors

description: Small molecule binding data for protein Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Uniprot Q13627
DOI: 10.7270/q2x06b63
title: BindingDB Entry 9929: Phosphatidylinositol 3-kinase inhibitors

description: Small molecule binding data for protein Phosphatidylinositol 3-kinase regulatory subunit beta, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, O00459, and P48736
DOI: 10.7270/q2x06b7j
title: BindingDB Entry 10316: Cyanoindoline derivatives as NIK inhibitors

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 14, Uniprot Q99558
DOI: 10.7270/q2x06b80
title: BindingDB Entry 10703: Spiropyrrolidine derived antiviral agents

description: Small molecule binding data for protein Replicase polyprotein 1a, Uniprot P0DTC1
DOI: 10.7270/q2x06b9f
title: BindingDB Entry 50006885: Design and synthesis of (2-(phenylamino)thieno[3,2-d]pyrimidin-4-yl)(3,4,5-trimethoxyphenyl)methanone analogues as potent anti-tubulin polymerization agents.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2x06bbw
title: BindingDB Entry 50007200: Discovery of N-(piperidin-3-yl)-N-(pyridin-2-yl)piperidine/piperazine-1-carboxamides as small molecule inhibitors of PCSK9.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q2x06bcb
title: BindingDB Entry 50007493: Chemical synthesis, microbial transformation and biological evaluation of tetrahydroprotoberberines as dopamine D1/D2 receptor ligands.

description: Small molecule binding data for protein D(1A) dopamine receptor and D(2) dopamine receptor, Uniprot P14416 and P21728