cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q20k2bbv
title: BindingDB Entry 50046172: Fluoro-substituted phenylazocarboxamides: Dopaminergic behavior and N-arylating properties for irreversible binding.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P21728, P21918, P28223, and P35462
DOI: 10.7270/q2319xgr
title: BindingDB Entry 50044686: Novel sulfonyl(thio)urea derivatives act efficiently both as insulin secretagogues and as insulinomimetic compounds.

description: Small molecule binding data for protein Sulfonylurea receptor 1, Uniprot Q09428
DOI: 10.7270/q2474ch2
title: BindingDB Entry 50045212: Confronting the challenges of discovery of novel antibacterial agents.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q24b332k
title: BindingDB Entry 50046171: In silico evaluation of human small heat shock protein HSP27: homology modeling, mutation analyses and docking studies.

description: Small molecule binding data for protein Heat shock protein beta-1, Uniprot P04792
DOI: 10.7270/q24x59g2
title: BindingDB Entry 50045655: Synthesis and biological evaluation of second-generation tropanol-based androgen receptor modulators.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q26t0p75
title: BindingDB Entry 50044685: Discovery of small molecular inhibitors targeting HIV-1 gp120-CD4 interaction drived from BMS-378806.

description: Small molecule binding data for protein GP41
DOI: 10.7270/q2833tr2
title: BindingDB Entry 50046170: Discovery of Tricyclic Clerodane Diterpenes as Sarco/Endoplasmic Reticulum Ca(2+)-ATPase Inhibitors and Structure-Activity Relationships.

description: Small molecule binding data for protein ATPase (Na+, K+), Sarcoplasmic/endoplasmic reticulum calcium ATP-ase, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1, and Sarcoplasmic/endoplasmic reticulum calcium ATPase 2, Uniprot P04191, P06685, P11507, and Q64578
DOI: 10.7270/q28p626s
title: BindingDB Entry 50045654: Design, syntheses, structure-activity relationships and docking studies of coumarin derivatives as novel selective ligands for the CB2 receptor.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q29p33jv
title: BindingDB Entry 50047218: 1,2,4-Triazolyl octahydropyrrolo[2,3-b]pyrroles: A new series of potent and selective dopamine D3 receptor antagonists.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Muscarinic acetylcholine receptor, and Muscarinic acetylcholine receptor M1, Uniprot P05177, P08684, P10635, P11229, P11712, P14416, P20309, P21917, P33261, P35462, and P40989
DOI: 10.7270/q2bk1dx1
title: BindingDB Entry 50044684: Discovery of 2-pyridylureas as glucokinase activators.

description: Small molecule binding data for protein Hexokinase type IV, Uniprot P35557
DOI: 10.7270/q2cr5w1q
title: BindingDB Entry 50045210: Reduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide RORc inverse agonists.

description: Small molecule binding data for protein Bile acid receptor FXR, Liver X receptor (LXR alpha AND LXR beta), Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, Nuclear receptor ROR-gamma, and Pregnane X receptor (PXR), Uniprot O75469, P35398, P51449, P55055, Q13133, Q6I9R9, Q92753, and Q96RI1
DOI: 10.7270/q2cv4kgg
title: BindingDB Entry 50046169: Discovery of biphenyl-aryl ureas as novel VEGFR-2 inhibitors. Part 4: exploration of diverse hinge-binding fragments.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2ff3v7r
title: BindingDB Entry 50047217: Discovery of novel pyrrolo[2,3-b]pyridine derivatives bearing 1,2,3-triazole moiety as c-Met kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Hepatocyte growth factor receptor, Platelet-derived growth factor receptor beta, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P08581, P09619, P10721, P35968, and P36888
DOI: 10.7270/q2g73gbs
title: BindingDB Entry 50044683: Design, synthesis and pharmacological evaluation of 2-(thiazol-2-amino)-4-arylaminopyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.

description: Small molecule binding data for protein ALK tyrosine kinase receptor and Hepatocyte growth factor receptor, Uniprot P08581 and Q9UM73
DOI: 10.7270/q2j10500
title: BindingDB Entry 50046685: Exploration of the linkage elements of porcupine antagonists led to potent Wnt signaling pathway inhibitors.

description: Small molecule binding data for protein Protein-serine O-palmitoleoyltransferase porcupine, Uniprot Q9H237
DOI: 10.7270/q2k64kxm
title: BindingDB Entry 50047216: Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of sulphone-based CRTh2 antagonists.

description: Small molecule binding data for protein G protein-coupled receptor 44, Uniprot Q9Y5Y4
DOI: 10.7270/q2n0188s
title: BindingDB Entry 50045659: Pyridine C-region analogs of 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides as potent TRPV1 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q2ns0wr2
title: BindingDB Entry 50046684: Small-Molecule Allosteric Modulators of the Protein Kinase PDK1 from Structure-Based Docking.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, Uniprot O15530
DOI: 10.7270/q2r21316
title: BindingDB Entry 50045215: Discovery of a novel, first-in-class, orally bioavailable azaindole inhibitor (VX-787) of influenza PB2.

description: Small molecule binding data for protein Glycogen synthase kinase-3 and Polymerase basic protein 2, Uniprot P03428 and P49841
DOI: 10.7270/q2rr20zb
title: BindingDB Entry 50045658: Synthesis and biological evaluation of pyridazino[1',6':1,2]pyrido[3,4-b]indolinium and pyridazino[1,6-a]benzimidazolium salts as anti-inflammatory agents.

description: Small molecule binding data for protein Tumor necrosis factor receptor R1, Uniprot P19438
DOI: 10.7270/q2sj1nfb
title: BindingDB Entry 50046683: Antihyperlipidemic morpholine derivatives with antioxidant activity: An investigation of the aromatic substitution.

description: Small molecule binding data for protein Squalene synthetase, Uniprot Q02769
DOI: 10.7270/q2th8p84
title: BindingDB Entry 50044688: Discovery of (E)-5-(benzylideneamino)-1H-benzo[d]imidazol-2(3H)-one derivatives as inhibitors for PTK6.

description: Small molecule binding data for protein Epidermal growth factor receptor, SRC, Tyrosine-protein kinase BMX, Tyrosine-protein kinase BRK, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00533, P06241, P12931, P51813, and Q13882
DOI: 10.7270/q2tq63d6
title: BindingDB Entry 50047214: Design, synthesis, and structure-activity relationship study of glycyrrhetinic acid derivatives as potent and selective inhibitors against human carboxylesterase 2.

description: Small molecule binding data for protein Acyl-CoA: cholesterol acyltransferase (ACAT) and Carboxylesterase 2, Uniprot O00748 and P23141
DOI: 10.7270/q2vt1tqc
title: BindingDB Entry 50045214: Synthesis and cholinesterase inhibition of cativic acid derivatives.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot P04058 and P81908
DOI: 10.7270/q2wh2rpp
title: BindingDB Entry 50045657: Design, synthesis and docking studies of novel thienopyrimidine derivatives bearing chromone moiety as mTOR/PI3Ka inhibitors.

description: Small molecule binding data for protein PI3-kinase subunit alpha and Serine/threonine-protein kinase mTOR, Uniprot P42336 and P42345
DOI: 10.7270/q2x63prb
title: BindingDB Entry 50046682: Click-tailed coumarins with potent and selective inhibitory action against the tumor-associated carbonic anhydrases IX and XII.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2zg6v4j
title: BindingDB Entry 50047213: SAR exploration at the C-3 position of tetrahydro-ß-carboline sstr3 antagonists.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Somatostatin receptor, Uniprot P30872, P30874, P31391, P32745, P35346, and P40989
DOI: 10.7270/q208670j
title: BindingDB Entry 50045664: Synthesis, biological evaluation and 3D-QSAR studies of novel 5-phenyl-1H-pyrazol cinnamamide derivatives as novel antitubulin agents.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1
DOI: 10.7270/q20z753b
title: BindingDB Entry 50046689: Development of a novel class of potent and selective FIXa inhibitors.

description: Small molecule binding data for protein Coagulation factor IX and X, Coagulation factor X/antithrombin III, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P00740, P00742, P08684, P10632, P10635, P11712, and Q12809
DOI: 10.7270/q22809g0
title: BindingDB Entry 50047220: Design, synthesis of phenstatin/isocombretastatin-oxindole conjugates as antimitotic agents.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2377bcp
title: BindingDB Entry 50045220: Discovery of S-adenosyl-L-homocysteine hydrolase inhibitors based on non-adenosine analogs.

description: Small molecule binding data for protein Adenosylhomocysteinase, Uniprot P23526
DOI: 10.7270/q23x88c4
title: BindingDB Entry 50045663: Structure-based modification of 3-/4-aminoacetophenones giving a profound change of activity on tyrosinase: from potent activators to highly efficient inhibitors.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q24q7wst
title: BindingDB Entry 50046688: Discovery of novel N-aryl piperazine CXCR4 antagonists.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q2611258
title: BindingDB Entry 50047219: Synthesis, and docking studies of phenylpyrimidine-carboxamide derivatives bearing 1H-pyrrolo[2,3-b]pyridine moiety as c-Met inhibitors.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q270832z
title: BindingDB Entry 50045219: Discovery of (7-aryl-1,5-naphthyridin-2-yl)ureas as dual inhibitors of ERK2 and Aurora B kinases with antiproliferative activity against cancer cells.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Homeodomain-interacting protein kinase 1, MAP kinase ERK2, Neurotrophic tyrosine kinase receptor, Serine/threonine-protein kinase PIM, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Yes, and Vascular endothelial growth factor receptor 2, Uniprot P00519, P04629, P07947, P11309, P28482, P35968, Q86Z02, and Q96GD4
DOI: 10.7270/q27p913v
title: BindingDB Entry 50045662: Pyrido-imidazodiazepinones as a new class of reversible inhibitors of human kallikrein 7.

description: Small molecule binding data for protein Kallikrein 7, Uniprot P49862
DOI: 10.7270/q28g8nhj
title: BindingDB Entry 50046687: Structure-activity relationship studies of the lipophilic tail region of sphingosine kinase 2 inhibitors.

description: Small molecule binding data for protein Sphingosine kinase 1 (SPHK1) and Sphingosine kinase types 2 (SphK2), Uniprot Q9NRA0 and Q9NYA1
DOI: 10.7270/q29k4cvj
title: BindingDB Entry 50044692: Development of inhibitors of the 2C-methyl-D-erythritol 4-phosphate (MEP) pathway enzymes as potential anti-infective agents.

description: Small molecule binding data for protein 1-deoxy-D-xylulose 5-phosphate reductoisomerase and 1-deoxy-D-xylulose-5-phosphate synthase, Uniprot B7UJP3, P45568, P9WNS1, P9WNS3, Q4QKG6, and Q9RUB5
DOI: 10.7270/q2br8tt1
title: BindingDB Entry 50045218: Cyclic tertiary sulfamates: selective inhibition of the tumor-associated carbonic anhydrases IX and XII by N- and O-substituted acesulfame derivatives.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2cf9rts
title: BindingDB Entry 50045661: Benzofuran-derived benzylpyridinium bromides as potent acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2d79d78
title: BindingDB Entry 50046686: Structure-based hybridization, synthesis and biological evaluation of novel tetracyclic heterocyclic azathioxanthone analogues as potential antitumor agents.

description: Small molecule binding data for protein DNA topoisomerase I (Topo I) and Topoisomerase II alpha (HuTopoIIα), Uniprot P11387 and P11388
DOI: 10.7270/q2fb54jt
title: BindingDB Entry 50044691: Design, synthesis, and evaluation of nonretinoid retinol binding protein 4 antagonists for the potential treatment of atrophic age-related macular degeneration and Stargardt disease.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Retinol-binding protein 4 (RBP4), Uniprot P02753, P08684, P10635, P11712, and P33261
DOI: 10.7270/q2gh9kmn
title: BindingDB Entry 50045217: Flavones: an important scaffold for medicinal chemistry.

description: Small molecule binding data for protein Acetylcholinesterase, Adenosine receptor A3, CFTR, Gamma-amino-N-butyrate transaminase, Integrase, Succinate semialdehyde dehydrogenase, Telomerase reverse transcriptase, and Xanthine oxidase, Uniprot O14746, P0DMS8, P13569, P22303, P47989, P51649, and P80404
DOI: 10.7270/q2gm892t
title: BindingDB Entry 50046176: Cell-based and virtual fragment screening for adrenergica2C receptor agonists.

description: Small molecule binding data for protein Alpha-2C adrenergic receptor, Uniprot P18825 and Q4W594
DOI: 10.7270/q2h70hj2
title: BindingDB Entry 50045660: Discovery of potent, orally bioavailable, small-molecule inhibitors of WNT signaling from a cell-based pathway screen.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 3A, Glycogen synthase kinase-3, Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a), Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b), Protein Wnt-3a, and Voltage-gated potassium channel, Uniprot O95271, P08684, P11712, P49840, P49841, P56704, Q12809, and Q9H2K2
DOI: 10.7270/q2j67js7
title: BindingDB Entry 50047224: Design, physico-chemical properties and biological evaluation of some new N-[(phenoxy)alkyl]- and N-{2-[2-(phenoxy)ethoxy]ethyl}aminoalkanols as anticonvulsant agents.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A3, Angiotensin II receptor, BDKRB2, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Cannabinoid receptor 1, Cholecystokinin receptor, Dopamine D1 and D2 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, EDNRA, EDNRB, Glucocorticoid receptor, Histamine H1 receptor, Histamine H2 receptor, Melanocortin receptor 4, Melatonin receptor, Melatonin receptor 1B, Mu-type opioid receptor, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, Neurokinin 1 receptor, Neurokinin 2 receptor, Neurokinin 3 receptor, Nociceptin receptor, Opioid receptor, Peripheral-Type Benzodiazepine Receptor, Peroxisome proliferator-activated receptor, Prostaglandin E2 receptor EP2 subtype (EP2), Prostanoid IP receptor, Serotonin (5-HT) receptor, Serotonin 1B/1D receptor, Serotonin 3 (5-HT3) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Small conductance calcium-activated potassium channel, Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, VIPR1, and Vasopressin V1a receptor (V1a), Uniprot B7X946, P04150, P07550, P08172, P08173, P08588, P08908, P08912, P0DMS8, P11229, P14416, P16257, P20309, P21452, P21554, P21728, P21917, P21918, P23975, P24530, P25021, P25101, P25103, P28223, P28335, P28564, P29274, P29371, P30411, P30542, P30556, P30989, P31645, P32238, P32239, P32241, P32245, P34969, P34975, P35367, P35372, P35462, P37231, P37288, P41146, P41595, P43116, P43119, P46098, P47898, P48039, P50052, P50406, P70604, P70605, P70606, and Q01959
DOI: 10.7270/q2k35w7q
title: BindingDB Entry 50044690: Discovery of 5-chloro-4-((1-(5-chloropyrimidin-2-yl)piperidin-4-yl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)pyridin-2(1H)-one (BMS-903452), an antidiabetic clinical candidate targeting GPR119.

description: Small molecule binding data for protein G-protein coupled receptor 119 (GPR119), Pregnane X receptor (PXR), and Voltage-gated potassium channel, Uniprot O75469, Q12809, and Q8TDV5
DOI: 10.7270/q2m90bbx
title: BindingDB Entry 50045216: Investigations of amide bond variation and biaryl modification in analogues ofa7 nAChR agonist SEN12333.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Uniprot Q05941
DOI: 10.7270/q2mc91s4
title: BindingDB Entry 50046175: GPCR crystal structures: Medicinal chemistry in the pocket.

description: Small molecule binding data for protein Metabotropic glutamate receptor 1 and Purinergic receptor P2Y12, Uniprot Q13255 and Q9H244
DOI: 10.7270/q2pr7xkv
title: BindingDB Entry 50044689: Synthesis and acetylcholinesterase inhibitory activity of Mannich base derivatives flavokawain B.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P37136
DOI: 10.7270/q2r49sjx
title: BindingDB Entry 50046174: Potency enhancement of the¿-opioid receptor antagonist probe ML140 through sulfonamide constraint utilizing a tetrahydroisoquinoline motif.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Opioid receptor, Uniprot P34975, P35372, P41143, and P41145
DOI: 10.7270/q2rj4m9z
title: BindingDB Entry 50046691: Discovery of [¹¹C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors.

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot Q9Y233
DOI: 10.7270/q2sq927c
title: BindingDB Entry 50047222: 5-Substituted 3-isopropyl-7-[4-(2-pyridyl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidines with anti-proliferative activity as potent and selective inhibitors of cyclin-dependent kinases.

description: Small molecule binding data for protein CDK2/CycE, Cyclin-dependent kinase, Cyclin-dependent kinase 1, Cyclin-dependent kinase 4, and Cyclin-dependent kinase 9, Uniprot P06493, P11802, P24864, P24941, P50613, P50750, and Q00535
DOI: 10.7270/q2vh5qj9
title: BindingDB Entry 50045665: Exploring new selective 3-benzylquinoxaline-based MAO-A inhibitors: design, synthesis, biological evaluation and docking studies.

description: Small molecule binding data for protein Monoamine oxidase, Uniprot P21398 and P56560
DOI: 10.7270/q2vx0j8w
title: BindingDB Entry 50046173: Synthesis and pharmacological evaluation of N-benzyl substituted 4-bromo-2,5-dimethoxyphenethylamines as 5-HT2A/2C partial agonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P08909, P28223, and P28335
DOI: 10.7270/q2w95c07
title: BindingDB Entry 50046690: An unprecedented dual antagonist and agonist of human Transglutaminase 2.

description: Small molecule binding data for protein Protein-glutamine gamma-glutamyltransferase 2 (TG2), Uniprot P21980 and Q9H035
DOI: 10.7270/q2xg9t05
title: BindingDB Entry 50047221: Synthesis and biological evaluation of quinoline derivatives as potential anti-prostate cancer agents and Pim-1 kinase inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309
DOI: 10.7270/q2z89f0v
title: BindingDB Entry 50044687: Novel semicarbazides and ureas of primaquine with bulky aryl or hydroxyalkyl substituents: synthesis, cytostatic and antioxidative activity.

description: Small molecule binding data for protein Lipoxygenase
DOI: 10.7270/q2028tbr
title: BindingDB Entry 50046697: Structure-activity relationship study of syringolin A as a potential anticancer agent.

description: Small molecule binding data for protein 20S proteasome chymotrypsin-like, Uniprot P28074
DOI: 10.7270/q2222wcc
title: BindingDB Entry 50044694: Studies on molecular properties prediction and histamine H3 receptor affinities of novel ligands with uracil-based motifs.

description: Small molecule binding data for protein Histamine H3 receptor and Histamine receptor (H3), Uniprot Q9QYN8 and Q9Y5N1
DOI: 10.7270/q22b90p2
title: BindingDB Entry 50045228: Studies examining the relationship between the chemical structure of protoxin II and its activity on voltage gated sodium channels.

description: Small molecule binding data for protein Sodium channel alpha subunit and Sodium channel protein type II alpha subunit, Uniprot P04775 and Q15858
DOI: 10.7270/q2319xk3
title: BindingDB Entry 50045671: LEADOPT: an automatic tool for structure-based lead optimization, and its application in structural optimizations of VEGFR2 and SYK inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase SYK and Vascular endothelial growth factor receptor 2, Uniprot P35968 and P43405
DOI: 10.7270/q23f4rd1
title: BindingDB Entry 50046179: Synthesis and biological evaluation of spirocyclic antagonists of CCR2 (chemokine CC receptor subtype 2).

description: Small molecule binding data for protein C-C chemokine receptor type 2, Uniprot O95950, P41597, and P51683
DOI: 10.7270/q2514147
title: BindingDB Entry 50047227: Novel Imbricatolic acid derivatives as protein tyrosine phosphatase-1B inhibitors: Design, synthesis, biological evaluation and molecular docking.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q25t3n3s
title: BindingDB Entry 50044693: Radiosynthesis and biological evaluation of a novel enoyl-ACP reductase inhibitor for Staphylococcus aureus.

description: Small molecule binding data for protein Enoyl-ACP reductase
DOI: 10.7270/q2736spk
title: BindingDB Entry 50046178: 10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acids are selective inhibitors of DYRK1A.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Cyclin-dependent kinase 2, Cyclin-dependent kinase 9, 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 2, Dual-specificity tyrosine-phosphorylation regulated kinase 3, Dual-specificity tyrosine-regulated kinases 1B, and MAP kinase ERK2, Uniprot O35491, O35492, O35493, O43781, P22518, P24941, P28482, P50750, Q00535, Q13627, Q92630, and Q9Y463