cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2kd21zr
title: BindingDB Entry 9382: Wee-1 inhibiting pyrazolopyrimidinone compounds

description: Small molecule binding data for protein Wee1-like protein kinase, Uniprot P30291
DOI: 10.7270/q2kd220m
title: BindingDB Entry 9591: Substituted pyrrolizine compounds and uses thereof

description: Small molecule binding data for protein Capsid protein, Uniprot Q76R61
DOI: 10.7270/q2kd2212
title: BindingDB Entry 9978: Substituted pyrazolo[3,4-d]pyrimidines as kinase inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2kd222h
title: BindingDB Entry 10365: 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q2kd223z
title: BindingDB Entry 10752: AMPK activators

description: Small molecule binding data for protein 5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1, Uniprot P54619, Q13131, and Q9Y478
DOI: 10.7270/q2kd224d
title: BindingDB Entry 50006687: Evolution in medicinal chemistry of sorafenib derivatives for hepatocellular carcinoma.

description: Small molecule binding data for protein Epidermal growth factor receptor, Vascular endothelial growth factor receptor 1, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 3, Uniprot P00533, P17948, P35916, and P35968
DOI: 10.7270/q2kd225v
title: BindingDB Entry 50006960: An overview of grayanane diterpenoids and their biological activities from the Ericaceae family in the last seven years.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 1, Uniprot P18031
DOI: 10.7270/q2kd2269
title: BindingDB Entry 50007275: Discovery of potent and selective 5-azaindazole inhibitors of leucine-rich repeat kinase 2 (LRRK2) - Part 1.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2, Uniprot Q5S007
DOI: 10.7270/q2kd227r
title: BindingDB Entry 50007571: Application of the concept of oxime library screening by mass spectrometry (MS) binding assays to pyrrolidine-3-carboxylic acid derivatives as potential inhibitors of γ-aminobutyric acid transporter 1 (GAT1).

description: Small molecule binding data for protein Sodium- and chloride-dependent GABA transporter 1 and Sodium- and chloride-dependent GABA transporter 2, Uniprot P23978 and P31649
DOI: 10.7270/q2kd2286
title: BindingDB Entry 50007891: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Cholinesterase, Uniprot O42275, P21397, P27338, and P81908
DOI: 10.7270/q2kd229n
title: BindingDB Entry 50008493: Design, Synthesis, and Biological Evaluation of MEK PROTACs.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1, Uniprot Q02750
DOI: 10.7270/q2kd22b3
title: BindingDB Entry 50009149: Novel lipid side chain modified exenatide analogs emerged prolonged glucoregulatory activity and potential body weight management properties.

description: Small molecule binding data for protein Glucagon-like peptide 1 receptor, Uniprot P43220
DOI: 10.7270/q2kd22cj
title: BindingDB Entry 50009783: Synthesis, biological evaluation, and molecular docking study of novel allyl-retrochalcones as a new class of protein tyrosine phosphatase 1B inhibitors.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 1, Uniprot P18031
DOI: 10.7270/q2kd22d0
title: BindingDB Entry 50010101: Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.

description: Small molecule binding data for protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Uniprot Q13822
DOI: 10.7270/q2kd22ff
title: BindingDB Entry 50010356: Synthesis, biological evaluation and SAR studies of ursolic acid 3β-ester derivatives as novel CETP inhibitors.

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P11597
DOI: 10.7270/q2kd22gw
title: BindingDB Entry 50010670: Design, synthesis and biological evaluation of substituted flavones and aurones as potential anti-influenza agents.

description: Small molecule binding data for protein Neuraminidase, Uniprot P03468
DOI: 10.7270/q2kd22hb
title: BindingDB Entry 50011309: Fragment Linking Strategies for Structure-Based Drug Design.

description: Small molecule binding data for protein Acetylcholinesterase, Apoptosis regulator Bcl-2, Bcl-2-like protein 1, Caspase-3, Chitinase B, Coagulation factor X, Cyclin-A2/Cyclin-dependent kinase 2, Endothiapepsin, Glycylpeptide N-tetradecanoyltransferase 1, Heat shock protein HSP 90-alpha/90-beta, Histone deacetylase 8, Peptidyl-prolyl cis-trans isomerase A, Peptidyl-prolyl cis-trans isomerase B, Proto-oncogene tyrosine-protein kinase Src, Stromelysin-1, and Tyrosine-protein phosphatase non-receptor type 1, Uniprot P00742, P04058, P07900, P08238, P08254, P10415, P11797, P11838, P12931, P18031, P20248, P21836, P23284, P24941, P30419, P37136, P42574, P62937, Q07817, and Q9BY41
DOI: 10.7270/q2kd22js
title: BindingDB Entry 50011939: Discovery of DB18, a potent inhibitor of CLK kinases with a high selectivity against DYRK1A kinase.

description: Small molecule binding data for protein Dual specificity protein kinase CLK1, Dual specificity protein kinase CLK2, Dual specificity protein kinase CLK3, Dual specificity protein kinase CLK4, and Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Uniprot P49759, P49760, P49761, Q63470, and Q9HAZ1
DOI: 10.7270/q2kd22k7
title: BindingDB Entry 50012559: Novel N-substituted indole Schiff bases as dual inhibitors of cyclooxygenase-2 and 5-lipoxygenase enzymes: Synthesis, biological activities in vitro and docking study.

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/q2kd22mp
title: BindingDB Entry 50013198: Highly selective inhibitors of protein kinases CLK and HIPK with the furo[3,2-b]pyridine core.

description: Small molecule binding data for protein Cyclin-dependent kinase-like 3, Dual specificity protein kinase CLK1, Dual specificity protein kinase CLK2, Dual specificity protein kinase CLK3, 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 1, Homeodomain-interacting protein kinase 2, Homeodomain-interacting protein kinase 3, Homeodomain-interacting protein kinase 4, Mitogen-activated protein kinase kinase kinase 10, Mitogen-activated protein kinase kinase kinase 11, and Mitogen-activated protein kinase kinase kinase 9, Uniprot P49759, P49760, P49761, P80192, Q02779, Q13627, Q16584, Q86Z02, Q8IVW4, Q8NE63, Q92630, Q9H2X6, Q9H422, Q9HAZ1, and Q9Y463
DOI: 10.7270/q2kd22n4
title: BindingDB Entry 50013537: Identification of 6-hydroxy-5-phenyl sulfonylpyrimidin-4(1H)-one APJ receptor agonists.

description: Small molecule binding data for protein Apelin receptor, Uniprot P35414, Q9JHG3, and Q9WV08
DOI: 10.7270/q2kd22pk
title: BindingDB Entry 50013828: Does targeting Arg98 of FimH lead to high affinity antagonists?

description: Small molecule binding data for protein Type 1 fimbrin D-mannose specific adhesin, Uniprot P08191
DOI: 10.7270/q2kd22q1
title: BindingDB Entry 50014187: Substituted 2,3-Benzodiazepines Derivatives as Bromodomain BRD4 Inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2kh0rc3
title: BindingDB Entry 9173: Macrocylic compounds as ROS1 kinase inhibitors

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase ROS, Proto-oncogene tyrosine-protein kinase ROS [D2033N], Proto-oncogene tyrosine-protein kinase ROS [G2032R], and Proto-oncogene tyrosine-protein kinase ROS [L2026M], Uniprot P08922
DOI: 10.7270/q2kh0rdj
title: BindingDB Entry 9560: Tricyclic compounds useful to treat orthomyxovirus infections

description: Small molecule binding data for protein Neuraminidase and Polymerase acidic protein, Uniprot P03470, P03471, P31343, and Q1P9S2
DOI: 10.7270/q2kh0rf0
title: BindingDB Entry 9769: Methods for treating ulcerative colitis using 3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q2kh0rgf
title: BindingDB Entry 9947: Therapeutic compounds and methods of use thereof

description: Small molecule binding data for protein Sodium channel protein type 9 subunit alpha, Uniprot Q15858
DOI: 10.7270/q2kh0rhw
title: BindingDB Entry 10156: 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572
DOI: 10.7270/q2kh0rjb
title: BindingDB Entry 10543: 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 1, Uniprot Q92918
DOI: 10.6084/m9.figshare.19773109.v2
title: lammps_deepmd

description: 01_VASP: VASP input files for DFT-MD calculations 02_DP-GEN: Active learning input files for collecting training set 03_DeePMD: DeePMD input files with a training set for NNP constructions 04_LAMMPS: LAMMPS MD simulations 05_OUTPUT: A raw example MD trajectory <br>
DOI: 10.7270/q2kh0rks
title: BindingDB Entry 10930: Urea-substituted aromatic ring-linked dioxinoquinoline compounds, preparation method and uses thereof

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase receptor Ret and Vascular endothelial growth factor receptor 2, Uniprot P07949 and P35968
DOI: 10.7270/q2kh0rm7
title: BindingDB Entry 50007221: Discovery of 12-Thiazole Abietanes as Selective Inhibitors of the Human Metabolic Serine Hydrolase hABHD16A.

description: Small molecule binding data for protein Phosphatidylserine lipase ABHD16A, Uniprot O95870
DOI: 10.7270/q2kh0rnp
title: BindingDB Entry 50007842: Multi-target design strategies for the improved treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Beta-secretase 1, Carboxylic ester hydrolase, Cholinesterase, Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha', Glutamate receptor ionotropic, NMDA 2A, Glycogen synthase kinase-3 beta, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, cGMP-dependent 3',5'-cyclic phosphodiesterase, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O42275, O76074, O76083, P19643, P21396, P21397, P22303, P27338, P37136, P49841, P51160, P56817, P81908, Q12879, Q13946, Q14432, and Q9JKC1
DOI: 10.7270/q2kh0rp4
title: BindingDB Entry 50008170: Discovery of 4-phenyl-2H-benzo[b][1,4]oxazin-3(4H)-one derivatives as potent and orally active PI3K/mTOR dual inhibitors.

description: Small molecule binding data for protein Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P27986, P42338, P42345, and P48736
DOI: 10.7270/q2kh0rqk
title: BindingDB Entry 50008451: Synthesis and biological evaluation of new MET inhibitors with 1,6-naphthyridinone scaffold.

description: Small molecule binding data for protein Angiopoietin-1 receptor, BDNF/NT-3 growth factors receptor, Hepatocyte growth factor receptor, High affinity nerve growth factor receptor, Macrophage-stimulating protein receptor, Tyrosine-protein kinase Mer, Tyrosine-protein kinase receptor TYRO3, Tyrosine-protein kinase receptor UFO, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 3, Uniprot P04629, P08581, P30530, P35916, P35968, Q02763, Q04912, Q06418, Q12866, and Q16620
DOI: 10.7270/q2kh0rr1
title: BindingDB Entry 50008824: Design, synthesis and structure activity relationships of indazole and indole derivatives as potent glucagon receptor antagonists.

description: Small molecule binding data for protein Glucagon receptor, Uniprot P47871
DOI: 10.7270/q2kh0rsg
title: BindingDB Entry 50009438: Synthesis of benzotriazoles derivatives and their dual potential as α-amylase and α-glucosidase inhibitors in vitro: Structure-activity relationship, molecular docking, and kinetic studies.

description: Small molecule binding data for protein Probable maltase-glucoamylase 2, Uniprot Q2M2H8
DOI: 10.7270/q2kh0rtx
title: BindingDB Entry 50010054: Design, synthesis and biological evaluation of c-Met kinase inhibitors bearing 2-oxo-1,2-dihydroquinoline scaffold.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q2kh0rvc
title: BindingDB Entry 50010615: Structural and in Vivo Characterization of Tubastatin A, a Widely Used Histone Deacetylase 6 Inhibitor.

description: Small molecule binding data for protein Histone deacetylase 1 and Histone deacetylase 6, Uniprot O09106 and Q9Z2V5
DOI: 10.7270/q2kh0rwt
title: BindingDB Entry 50010965: Discovery of ORN0829, a potent dual orexin 1/2 receptor antagonist for the treatment of insomnia.

description: Small molecule binding data for protein Orexin receptor type 2 and Orexin/Hypocretin receptor type 1, Uniprot O43613 and O43614
DOI: 10.7270/q2kh0rx8
title: BindingDB Entry 50011249: Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha and Peroxisome proliferator-activated receptor gamma, Uniprot P37231 and Q07869
DOI: 10.7270/q2kh0rzq
title: BindingDB Entry 50011599: Design, synthesis, and anti-proliferative evaluation of new quinazolin-4(3H)-ones as potential VEGFR-2 inhibitors.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2kh0s0k
title: BindingDB Entry 50012217: Discovery of novel phosphatidylcholine-specific phospholipase C drug-like inhibitors as potential anticancer agents.

description: Small molecule binding data for protein 1-phosphatidylinositol phosphodiesterase, Uniprot P14262
DOI: 10.7270/q2kh0s11
title: BindingDB Entry 50012835: Non-naturally Occurring Regio Isomer of Lysophosphatidylserine Exhibits Potent Agonistic Activity toward G Protein-Coupled Receptors.

description: Small molecule binding data for protein G protein-coupled receptor 34a, G protein-coupled receptor 34b, Probable G-protein coupled receptor 34, and Putative P2Y purinoceptor 10, Uniprot B3DHD6, Q568G5, Q8BFU7, Q9R1K6, and Q9UPC5
DOI: 10.7270/q2kh0s2g
title: BindingDB Entry 50013488: Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Sodium channel protein type 5 subunit alpha, and Voltage-dependent L-type calcium channel subunit alpha-1C, Uniprot P40989, Q13936, and Q14524
DOI: 10.7270/q2kh0s3x
title: BindingDB Entry 50014137: Structural insights in galectin-1-glycan recognition: Relevance of the glycosidic linkage and the N-acetylation pattern of sugar moieties.

description: Small molecule binding data for protein Galectin-1, Uniprot P09382
DOI: 10.7270/q2kh0s4c
title: BindingDB Entry 50014480: Novel Heterocyclic Compounds as Delta-5-Desaturase Inhibitors for Treating Metabolic and Cardiovascular Diseases.

description: Small molecule binding data for protein Acyl-CoA (8-3)-desaturase, Uniprot O60427
DOI: 10.7270/q2kk9fw6
title: BindingDB Entry 9351: 2-phenyl-3-(piperazinomethyl)imidazo[1,2-A]pyridine derivatives as blockers of task-1 and task-2 channels, for the treatment of sleep-related breathing disorders

description: Small molecule binding data for protein Potassium channel subfamily K member 3 and Potassium channel subfamily K member 9, Uniprot O14649 and Q9NPC2
DOI: 10.7270/q2kk9fxn
title: BindingDB Entry 9738: SHMT inhibitors

description: Small molecule binding data for protein Serine hydroxymethyltransferase, cytosolic and Serine hydroxymethyltransferase, mitochondrial, Uniprot P34896 and P34897
DOI: 10.7270/q2kk9fz3
title: BindingDB Entry 10125: Macrocyclic compounds as TRK kinase inhibitors and uses thereof

description: Small molecule binding data for protein High affinity nerve growth factor receptor, Uniprot P04629
DOI: 10.7270/q2kk9g0z
title: BindingDB Entry 10334: Quinoline compounds as modulators of RAGE activity and uses thereof

description: Small molecule binding data for protein MAPK/MAK/MRK overlapping kinase, Uniprot Q9UQ07
DOI: 10.7270/q2kk9g1d
title: BindingDB Entry 10512: Enantiomers of substituted thiazoles as antiviral compounds

description: Small molecule binding data for protein Carbonic anhydrase 2, Uniprot P00918
DOI: 10.7270/q2kk9g2v
title: BindingDB Entry 10721: CDK2/4/6 inhibitors

description: Small molecule binding data for protein Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Cyclin-dependent kinase 4/G1/S-specific cyclin-D3, and Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C], Uniprot P11802, P24385, P24864, P24941, P30281, and Q00534
DOI: 10.7270/q2kk9g39
title: BindingDB Entry 50006910: Impact of hydroxy moieties at the benzo[7]annulene ring system of GluN2B ligands: Design, synthesis and biological evaluation.

description: Small molecule binding data for protein Sigma intracellular receptor 2 and Sigma non-opioid intracellular receptor 1, Uniprot Q5U3Y7 and Q60492
DOI: 10.7270/q2kk9g4r
title: BindingDB Entry 50007522: Inhibition of a viral prolyl hydroxylase.

description: Small molecule binding data for protein Egl nine homolog 1, Hypoxia-inducible factor 1-alpha inhibitor, Prolyl 3-hydroxylase OGFOD1, and Prolyl 4-hydroxylase, Uniprot Q84406, Q8N543, Q9GZT9, and Q9NWT6
DOI: 10.7270/q2kk9g56
title: BindingDB Entry 50008128: A fluorine scan on the Zn

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 6, and Histone deacetylase 8, Uniprot O15379, Q13547, Q92769, Q9BY41, Q9UBN7, and Q9Y618
DOI: 10.7270/q2kk9g6n
title: BindingDB Entry 50008769: Discovery of a novel orally active TRPV4 inhibitor: Part 1. Optimization from an HTS hit.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 4, Uniprot Q9ERZ8 and Q9HBA0
DOI: 10.7270/q2kk9g73
title: BindingDB Entry 50009100: Design, synthesis and activity of novel 2,6-disubstituted purine derivatives, potential small molecule inhibitors of signal transducer and activator of transcription 3.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2kk9g8j
title: BindingDB Entry 50009392: Novel Human Aminopeptidase N Inhibitors: Discovery and Optimization of Subsite Binding Interactions.

description: Small molecule binding data for protein 72 kDa type IV collagenase, Aminopeptidase N, and Matrix metalloproteinase-9, Uniprot P08253, P14780, and P15144
DOI: 10.7270/q2kk9g90
title: BindingDB Entry 50009730: Investigation of stereoisomeric bisarylethenesulfonic acid esters for discovering potent and selective PTP1B inhibitors.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 1, Tyrosine-protein phosphatase non-receptor type 11, and Tyrosine-protein phosphatase non-receptor type 2, Uniprot P17706, P18031, and Q06124
DOI: 10.7270/q2kk9gbf
title: BindingDB Entry 50010310: Design, synthesis and biological evaluation of imidazo[1,5-a]pyrazin-8(7H)-one derivatives as BRD9 inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 9, Uniprot Q9H8M2
DOI: 10.7270/q2kk9gcw
title: BindingDB Entry 50010922: Novel Cyclic Tetramer Compounds as PCSK9 Inhibitors for Treating Metabolic Disorders.

description: Small molecule binding data for protein Proprotein convertase subtilisin/kexin type 9, Uniprot Q8NBP7
DOI: 10.7270/q2kk9gdb
title: BindingDB Entry 50011546: Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Estrogen receptor, and Histamine H3 receptor, Uniprot P03372, P05177, P08684, P10635, P11712, P33261, P40989, and Q9Y5N1
DOI: 10.7270/q2kk9gfs
title: BindingDB Entry 50011876: N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies.

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase 7, Uniprot Q93009
DOI: 10.7270/q2kk9gg7
title: BindingDB Entry 50012163: Discovery of CJ-2360 as a Potent and Orally Active Inhibitor of Anaplastic Lymphoma Kinase Capable of Achieving Complete Tumor Regression.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Cyclin-G-associated kinase, Death-associated protein kinase 1, Death-associated protein kinase 2, Death-associated protein kinase 3, Dual specificity protein kinase CLK1, Focal adhesion kinase 1, Insulin receptor, Insulin receptor-related protein, Insulin-like growth factor 1 receptor, Leukocyte tyrosine kinase receptor, Proto-oncogene tyrosine-protein kinase ROS, and Tyrosine-protein kinase Mer, Uniprot O14976, O43293, P06213, P08069, P08922, P14616, P29376, P49759, P53355, Q05397, Q12866, Q9UIK4, and Q9UM73
DOI: 10.7270/q2kk9ghp
title: BindingDB Entry 50012499: Novel PTP1B inhibitors identified by DNA display of fragment pairs.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 1 and Tyrosine-protein phosphatase non-receptor type 2, Uniprot P17706 and P18031
DOI: 10.7270/q2kk9gj4
title: BindingDB Entry 50012782: New V1a receptor antagonist. Part 1. Synthesis and SAR development of urea derivatives.

description: Small molecule binding data for protein Vasopressin V1a receptor, Uniprot P37288
DOI: 10.7270/q2kk9gkk
title: BindingDB Entry 50013145: Pyrazolo[3,4-d]pyrimidine-based dual EGFR T790M/HER2 inhibitors: Design, synthesis, structure-activity relationship and biological activity as potential antitumor and anticonvulsant agents.

description: Small molecule binding data for protein Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2, Uniprot P00533 and P04626
DOI: 10.7270/q2kk9gm1
title: BindingDB Entry 50013786: Novel Azaquinolones as PARP1 Inhibitors for Treating Cancer.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Uniprot P09874