cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q22b8w9h
title: BindingDB Entry 2705: Structure-based design, synthesis, and study of potent inhibitors of beta-ketoacyl-acyl carrier protein synthase III as potential antimicrobial agents.

description: Small molecule binding data for protein beta-Ketoacyl-ACP Synthase III (FabH), Uniprot P0DB00, P43711, Q2FZS0, and Q820T1
DOI: 10.7270/q23776x6
title: BindingDB Entry 955: Synthesis and In Vitro Evaluation of Novel 2,6,9-Trisubstituted Purines Acting as Cyclin-dependent Kinase Inhibitors

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1) and Cyclin-Dependent Kinase 5 (CDK5), Uniprot P15206, Q00535, and Q15078
DOI: 10.7270/q2542kw0
title: BindingDB Entry 2725: Structural basis for the potent calpain inhibitory activity of peptidyl alpha-ketoacids.

description: Small molecule binding data for protein Calpain-1, Uniprot P35750
DOI: 10.7270/q2707znj
title: BindingDB Entry 954: Structure-Based Design and Synthesis of 2-Benzylidene-benzofuran-3-ones as Flavopiridol Mimics

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P15206, P20248, P24385, and P24941
DOI: 10.7270/q28s4n7j
title: BindingDB Entry 2723: Co-existence of alpha-glucosidase-inhibitory and liver X receptor-regulatory activities and their separation by structural development.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta) and alpha-Glucosidase (alpha-Glu), Uniprot P38158, P55055, and Q13133
DOI: 10.7270/q2br8qdd
title: BindingDB Entry 953: 1-Azakenpaullone is a selective inhibitor of glycogen synthase kinase-3.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 5 (CDK5), and Glycogen Synthase Kinase-3, beta, Uniprot P15206, P18266, and Q00535
DOI: 10.7270/q2dj5cxd
title: BindingDB Entry 2720: Structure-activity relationship of S-trityl-L-cysteine analogues as inhibitors of the human mitotic kinesin Eg5.

description: Small molecule binding data for protein Kinesin Spindle Protein Eg5, Uniprot P52732
DOI: 10.7270/q2fj2f1r
title: BindingDB Entry 963: Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, P24864, and P24941
DOI: 10.7270/q2gh9g44
title: BindingDB Entry 951: Pyrazolo[3,4-c]pyridazines as Novel and Selective Inhibitors of Cyclin-Dependent Kinases

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Uniprot P15206
DOI: 10.7270/q2j964pk
title: BindingDB Entry 2718: Design of new potent and selective secretory phospholipase A2 inhibitors. Part 5: synthesis and biological activity of 1-alkyl-4-[4,5-dihydro-1,2,4-[4H]-oxadiazol-5-one-3-ylmethylbenz-4'-yl(oyl)] piperazines.

description: Small molecule binding data for protein Phospholipase A2, major isoenzyme and Phospholipase A2, membrane associated, Uniprot P00592 and P14555
DOI: 10.7270/q2k935r2
title: BindingDB Entry 962: Cyclin-Dependent Kinase Inhibition by New C-2 Alkynylated Purine Derivatives and Molecular Structure of a CDK2-Inhibitor Complex

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Uniprot P15206
DOI: 10.7270/q2p26wfc
title: BindingDB Entry 2717: Chemically induced dimerization of human nonpancreatic secretory phospholipase A2 by bis-indole derivatives.

description: Small molecule binding data for protein Phospholipase A2, membrane associated, Uniprot P14555
DOI: 10.7270/q2st7n5s
title: BindingDB Entry 2710: N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase.

description: Small molecule binding data for protein Aminopeptidase N, Cathepsin D, Chymotrypsin, Leukocyte elastase, Plasma kallikrein (KLKB1), Prothrombin, and Urokinase-type plasminogen activator, Uniprot P00734, P00749, P03952, P07339, P08246, P15145, and Q99895
DOI: 10.7270/q2tq5zrn
title: BindingDB Entry 960: SYNTHESIS OF C2 ALKYNYLATED PURINES, A NEW FAMILY OF POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Uniprot P15206
DOI: 10.7270/q2xk8cvn
title: BindingDB Entry 2707: Synthesis, flow cytometric evaluation, and identification of highly potent dipyridamole analogues as equilibrative nucleoside transporter 1 inhibitors.

description: Small molecule binding data for protein Equilibrative Nucleoside Transporter 1 (ENT1), Uniprot Q99808
DOI: 10.7270/q2zg6qfx
title: BindingDB Entry 959: Pyrazolo[3,4-b]quinoxalines. A New Class of Cyclin-Dependent Kinases Inhibitors

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Uniprot P15206
DOI: 10.7270/q21c1v64
title: BindingDB Entry 2726: Secondary amides of sulfonylated 3-amidinophenylalanine. New potent and selective inhibitors of matriptase.

description: Small molecule binding data for protein Factor Xa (fXa), Matriptase, Plasminogen, Thrombin, and Urokinase-type plasminogen activator, Uniprot P00735, P00743, P00747, P00749, and Q9Y5Y6
DOI: 10.7270/q22805tt
title: BindingDB Entry 971: Imidazo[1,2-a]pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation.

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, P24864, and P24941
DOI: 10.7270/q2610xj5
title: BindingDB Entry 970: Imidazo[1,2-a]pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation.

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, P24864, and P24941
DOI: 10.7270/q27w69hg
title: BindingDB Entry 2745: Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) and Voltage-gated potassium channel, Uniprot Q12809 and Q9UNA0
DOI: 10.7270/q29s1p8k
title: BindingDB Entry 965: Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 2: Identification and Optimisation of Substituted 2,4-Bis Anilino Pyrimidines

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, P24864, and P24941
DOI: 10.7270/q2cj8bs1
title: BindingDB Entry 2744: Synthesis and biological evaluation of biphenylsulfonamide carboxylate aggrecanase-1 inhibitors.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4), Collagenase, Matrix metalloproteinase-1 (MMP1), and Matrix metalloproteinase-14 (MMP14), Uniprot O75173, P03956, P08253, P45452, and P50281
DOI: 10.7270/q2h993g9
title: BindingDB Entry 2742: 5'-Phenyl-3'H-spiro[indoline-3,2'-[1,3,4]thiadiazol]-2-one inhibitors of ADAMTS-5 (aggrecanase-2).

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4), ADAMTS-5 (Aggrecanase-2), Collagenase, and Matrix metalloproteinase-12 (MMP12), Uniprot O75173, P39900, and P45452
DOI: 10.7270/q2n29v73
title: BindingDB Entry 2739: Synthesis and structure activity relationships of novel non-peptidic metallo-aminopeptidase inhibitors.

description: Small molecule binding data for protein Aminopeptidase N, Bacterial leucyl aminopeptidase, Cytosol aminopeptidase, and Leukotriene A4 hydrolase, Uniprot P00727, P09960, P15145, and Q01693
DOI: 10.7270/q2p26wb1
title: BindingDB Entry 985: First non-ATP competitive glycogen synthase kinase 3 beta (GSK-3beta) inhibitors: thiadiazolidinones (TDZD) as potential drugs for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Casein Kinase II, Cyclin-Dependent Kinase 1 (CDK1), Glycogen Synthase Kinase-3, beta, Protein Kinase C, and cAMP-Dependent Protein Kinase (PKA), Uniprot P00517, P02666, P06493, P14635, and P68403
DOI: 10.7270/q2q23xfz
title: BindingDB Entry 961: Cinnamaldehydes Inhibit Cyclin Dependent Kinase 4/Cyclin D1

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1) and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P15206, and P24385
DOI: 10.7270/q2rv0m0h
title: BindingDB Entry 2738: Discovery and preliminary evaluation of 5-(4-phenylbenzyl)oxazole-4-carboxamides as prostacyclin receptor antagonists.

description: Small molecule binding data for protein Prostanoid IP receptor, Uniprot P43119
DOI: 10.7270/q2st7n10
title: BindingDB Entry 973: Oxindole-Based Inhibitors of Cyclin-Dependent Kinase 2 (CDK2): Design, Synthesis, Enzymatic Activities, and X-ray Crystallographic Analysis.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1) and Cyclin-Dependent Kinase 2 (CDK2), Uniprot P06493, P14635, P20248, and P24941
DOI: 10.7270/q2wm1bqt
title: BindingDB Entry 2736: Synthesis and biological properties of new stilbene derivatives of resveratrol as new selective aryl hydrocarbon modulators.

description: Small molecule binding data for protein Aryl Hydrocarbon Receptor (AhR) and Estradiol receptor alpha (ERα), Uniprot O02747 and P03372
DOI: 10.7270/q2xg9pcf
title: BindingDB Entry 972: Imidazo[1,2-a]pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation.

description: Small molecule binding data for protein CDK2/CycE, Uniprot P24864 and P24941
DOI: 10.7270/q20c4t36
title: BindingDB Entry 2747: Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) and Voltage-gated potassium channel, Uniprot Q12809 and Q9UNA0
DOI: 10.7270/q21834qw
title: BindingDB Entry 998: Isolation, Catalytic Properties, and Competitive Inhibitors of the Zinc-Dependent Murine Glutaminyl Cyclase

description: Small molecule binding data for protein Glutaminyl Cyclase, Uniprot Q9CYK2
DOI: 10.7270/q2348hp4
title: BindingDB Entry 2760: Dual aromatase-steroid sulfatase inhibitors.

description: Small molecule binding data for protein Aromatase (CYP19) and Steroid Sulfatase (STS), Uniprot P08842 and P11511
DOI: 10.7270/q2445jth
title: BindingDB Entry 2746: Kinesin spindle protein (KSP) inhibitors. Part 4: Structure-based design of 5-alkylamino-3,5-diaryl-4,5-dihydropyrazoles as potent, water-soluble inhibitors of the mitotic kinesin KSP.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) and Voltage-gated potassium channel, Uniprot Q12809 and Q9UNA0
DOI: 10.7270/q2513wds
title: BindingDB Entry 996: Identification of Human Glutaminyl Cyclase as a Metalloenzyme. POTENT INHIBITION BY IMIDAZOLE DERIVATIVES AND HETEROCYCLIC CHELATORS

description: Small molecule binding data for protein Glutaminyl Cyclase, Uniprot Q16769
DOI: 10.7270/q26w98dj
title: BindingDB Entry 2758: Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity.

description: Small molecule binding data for protein Aromatase (CYP19) and Steroid Sulfatase (STS), Uniprot P08842 and P11511
DOI: 10.7270/q28s4n46
title: BindingDB Entry 993: The First Potent Inhibitors for Human Glutaminyl Cyclase: Synthesis and Structure-Activity Relationship.

description: Small molecule binding data for protein Glutaminyl Cyclase, Uniprot Q16769
DOI: 10.7270/q2dj5cvh
title: BindingDB Entry 991: Thienyl and Phenyl alpha-Halomethyl Ketones: New Inhibitors of Glycogen Synthase Kinase (GSK-3 beta) from a Library of Compound Searching.

description: Small molecule binding data for protein Glycogen Synthase Kinase-3, beta
DOI: 10.7270/q2gb22cx
title: BindingDB Entry 2753: Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity.

description: Small molecule binding data for protein Leukotriene A4 hydrolase and Voltage-gated potassium channel, Uniprot P09960 and Q12809
DOI: 10.7270/q2h993dd
title: BindingDB Entry 1010: 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK Inhibitors: Synthesis, SAR Analysis, X-ray Crystallography, and Biological Activity.

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, P24864, and P24941
DOI: 10.7270/q2j964mp
title: BindingDB Entry 987: SAR and 3D-QSAR Studies on Thiadiazolidinone Derivatives: Exploration of Structural Requirements for Glycogen Synthase Kinase 3 Inhibitors

description: Small molecule binding data for protein Glycogen Synthase Kinase-3, beta
DOI: 10.7270/q2m32t2t
title: BindingDB Entry 2752: Synthesis and pharmacological evaluation of novel gamma-aminobutyric acid type B (GABAB) receptor agonists as gastroesophageal reflux inhibitors.

description: Small molecule binding data for protein gamma-Aminobutyric Acid Type B Receptor, Uniprot Q6MFX8
DOI: 10.7270/q2n29v56
title: BindingDB Entry 1007: Design and synthesis of plasmepsin I and plasmepsin II inhibitors with activity in Plasmodium falciparum-infected cultured human erythrocytes.

description: Small molecule binding data for protein Cathepsin D, Plasmepsin 2, and Plasmepsin I, Uniprot P07339, P39898, and P46925
DOI: 10.7270/q2qv3jt8
title: BindingDB Entry 2750: Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors.

description: Small molecule binding data for protein Kinesin Spindle Protein Eg5, Uniprot P52732
DOI: 10.7270/q2vm49kf
title: BindingDB Entry 2748: Inhibitors of human mitotic kinesin Eg5: characterization of the 4-phenyl-tetrahydroisoquinoline lead series.

description: Small molecule binding data for protein Kinesin Spindle Protein Eg5, Uniprot P52732
DOI: 10.7270/q2wm1bmg
title: BindingDB Entry 999: Design and Synthesis of Potent Inhibitors of the Malaria Aspartyl Proteases Plasmepsin I and II. Use of Solid-Phase Synthesis to Explore Novel Statine Motifs.

description: Small molecule binding data for protein Cathepsin D, Plasmepsin 2, and Plasmepsin I, Uniprot P07339, P39898, and P46925
DOI: 10.7270/q20c4t0v
title: BindingDB Entry 1023: Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M

description: Small molecule binding data for protein HIV-1 Protease, HIV-1 Protease Mutant (D30N), HIV-1 Protease Mutant (I50V), HIV-1 Protease Mutant (I84V), HIV-1 Protease Mutant (L90M), and HIV-1 Protease Mutant (V82A)
DOI: 10.7270/q2251ggd
title: BindingDB Entry 2777: 2-Thiazolylimino/heteroarylimino-5-arylidene-4-thiazolidinones as new agents with SHP-2 inhibitory action.

description: Small molecule binding data for protein Protein tyrosine phosphatase SHP-2 (SHP-2), Uniprot Q06124
DOI: 10.7270/q2416v8d
title: BindingDB Entry 1022: Hydroxyethylene Sulfones as a New Scaffold To Address Aspartic Proteases: Design, Synthesis, and Structural Characterization

description: Small molecule binding data for protein HIV-1 Protease, Uniprot Q8AFU8 C6G7Q7 A3FHG7
DOI: 10.7270/q27s7kzz
title: BindingDB Entry 1016: High-Speed Optimization of Inhibitors of the Malarial Proteases Plasmepsin I and II.

description: Small molecule binding data for protein Cathepsin D, Plasmepsin 2, and Plasmepsin I, Uniprot P07339, P39898, and P46925
DOI: 10.7270/q29p2zz6
title: BindingDB Entry 2774: Discovery and optimization of triazolopyridazines as potent and selective inhibitors of the c-Met kinase.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q2bk19jv
title: BindingDB Entry 1046: 5-Aryl-pyrazolo[3,4-b]pyridines: Potent Inhibitors of Glycogen Synthase Kinase-3 (GSK-3).

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2) and Glycogen synthase kinase-3, Uniprot P20248, P24941, and P49840
DOI: 10.7270/q2bp013c
title: BindingDB Entry 2756: Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.

description: Small molecule binding data for protein Leukotriene A4 hydrolase, Uniprot P09960
DOI: 10.7270/q2cj8bpp
title: BindingDB Entry 1014: Synthesis and biological activity of 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine CDK inhibitors.

description: Small molecule binding data for protein CDK2/CycE, Casein Kinase II, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 4 (CDK4), Cyclin-Dependent Kinase 7 (CDK7), Cyclin-Dependent Kinase 9 (CDK9), Glycogen synthase kinase-3, and Protein kinase C alpha type, Uniprot O60563, P06493, P11802, P14635, P17252, P24385, P24864, P24941, P49841, P50613, P50750, P51946, and P68400
DOI: 10.7270/q2ff3qng
title: BindingDB Entry 2773: Discovery of a potent, selective, and orally bioavailable c-Met inhibitor: 1-(2-hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide (AMG 458).

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Tyrosine Kinase c-Met, Tyrosine Kinase c-Met Mutant (D1228H), Tyrosine Kinase c-Met Mutant (H1094R), Tyrosine Kinase c-Met Mutant (M1250T), Tyrosine Kinase c-Met Mutant (V1092I), Tyrosine Kinase c-Met Mutant (Y1230H), and Vascular endothelial growth factor receptor 2, Uniprot P08581, P16056, and P35968
DOI: 10.7270/q2gb228k
title: BindingDB Entry 1044: 5-Aryl-pyrazolo[3,4-b]pyridines: Potent Inhibitors of Glycogen Synthase Kinase-3 (GSK-3).

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49840
DOI: 10.7270/q2k35rzg
title: BindingDB Entry 2772: Discovery of pyrrolopyridine-pyridone based inhibitors of Met kinase: synthesis, X-ray crystallographic analysis, and biological activities.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q2pv6hnf
title: BindingDB Entry 2768: Triazolopyrimidine-based dihydroorotate dehydrogenase inhibitors with potent and selective activity against the malaria parasite Plasmodium falciparum.

description: Small molecule binding data for protein Dihydroorotate Dehydrogenase (DHODH), Uniprot Q08210
DOI: 10.7270/q2qv3jrc
title: BindingDB Entry 1039: 3-Anilino-4-arylmaleimides: potent and selective inhibitors of glycogen synthase kinase-3 (GSK-3).

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49840
DOI: 10.7270/q2rv0kx6
title: BindingDB Entry 1003: Potent Inhibitors of the Plasmodium falciparum Enzymes Plasmepsin I and II Devoid of Cathepsin D Inhibitory Activity.

description: Small molecule binding data for protein Cathepsin D, Plasmepsin 2, and Plasmepsin I, Uniprot P07339, P39898, and P46925
DOI: 10.7270/q2tm78dm
title: BindingDB Entry 2766: Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors.

description: Small molecule binding data for protein Glycogen Phosphorylase (PYGL), Uniprot P06737
DOI: 10.7270/q2vm49hj
title: BindingDB Entry 1025: N-Phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amines as Potent and Selective Inhibitors of Glycogen Synthase Kinase 3 with Good Cellular Efficacy.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 4 (CDK4), and Glycogen synthase kinase-3, Uniprot P11802, P20248, P24385, P24941, and P49841
DOI: 10.7270/q2zc815s
title: BindingDB Entry 2762: A series of potent and selective, triazolylphenyl-based histone deacetylases inhibitors with activity against pancreatic cancer cells and Plasmodium falciparum.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3/NCoR1, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, Q13547, Q92769, Q969S8, Q9BY41, and Q9UBN7
DOI: 10.7270/q2154fb1
title: BindingDB Entry 2790: Structure based development of phenylimidazole-derived inhibitors of indoleamine 2,3-dioxygenase.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Uniprot P14902
DOI: 10.7270/q2348hks
title: BindingDB Entry 1049: 6-heteroaryl-pyrazolo[3,4-b]pyridines: potent and selective inhibitors of glycogen synthase kinase-3 (GSK-3).

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2) and Glycogen synthase kinase-3, Uniprot P20248, P24941, and P49840
DOI: 10.7270/q24x563w
title: BindingDB Entry 2788: Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 5 (CDK5), and Serine/threonine-protein kinase Aurora, Uniprot O14965, P06493, P14635, P20248, P24941, Q00535, and Q15078
DOI: 10.7270/q25x274x
title: BindingDB Entry 1062: Synthesis and evaluation of novel heterocyclic inhibitors of GSK-3.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49841
DOI: 10.7270/q25x2778
title: BindingDB Entry 2775: Discovery of a novel and potent series of thieno[3,2-b]pyridine-based inhibitors of c-Met and VEGFR2 tyrosine kinases.

description: Small molecule binding data for protein Hepatocyte growth factor receptor and Vascular endothelial growth factor receptor 2, Uniprot P08581 and P35968
DOI: 10.7270/q26t0jvk
title: BindingDB Entry 1047: 6-Aryl-pyrazolo[3,4-b]pyridines: Potent Inhibitors of Glycogen Synthase Kinase-3 (GSK-3).

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49840
DOI: 10.7270/q28p5xtt
title: BindingDB Entry 2787: Discovery of N-(2-aminophenyl)-4-[(4-pyridin-3-ylpyrimidin-2-ylamino)methyl]benzamide (MGCD0103), an orally active histone deacetylase inhibitor.

description: Small molecule binding data for protein 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, Q96DB2, Q9BY41, Q9UBN7, and Q9UQL6
DOI: 10.7270/q2df6pjj
title: BindingDB Entry 2786: CRA-024781: a novel synthetic inhibitor of histone deacetylase enzymes with antitumor activity in vitro and in vivo.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3/NCoR1, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, Q13547, Q92769, Q969S8, Q9BY41, and Q9UBN7
DOI: 10.7270/q2j67f7t
title: BindingDB Entry 2783: Novel dual-targeting benzimidazole urea inhibitors of DNA gyrase and topoisomerase IV possessing potent antibacterial activity: intelligent design and evolution through the judicious use of structure-guided design and structure-activity relationships.

description: Small molecule binding data for protein DNA Gyrase and DNA Topoisomerase IV, Uniprot P0A0K8, P0AES4, P0AES6, P0AFI2, P20083, and P20831
DOI: 10.7270/q2k35rv4
title: BindingDB Entry 1057: The discovery of a potent and selective lethal factor inhibitor for adjunct therapy of anthrax infection.

description: Small molecule binding data for protein Anthrax Lethal Factor (LF), Uniprot P15917
DOI: 10.7270/q2m32t0x
title: BindingDB Entry 1043: 3-Anilino-4-arylmaleimides: potent and selective inhibitors of glycogen synthase kinase-3 (GSK-3).

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49840
DOI: 10.7270/q2nv9gjh
title: BindingDB Entry 2782: Synthesis of novel beta-lactone inhibitors of fatty acid synthase.

description: Small molecule binding data for protein Fatty Acid Synthase