cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2222zjf
title: BindingDB Entry 50013991: Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, and Histone deacetylase 9, Uniprot O15379, P05177, P08684, P10635, P11712, P33261, P56524, Q13547, Q8WUI4, Q92769, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2222zkw
title: BindingDB Entry 50014294: Discovery of 2-(cyclopropanecarboxamido)-N-(5-((1-(4-fluorobenzyl)piperidin-4-yl)methoxy)pyridin-3-yl)isonicotinamide as a potent dual AChE/GSK3β inhibitor for the treatment of Alzheimer's disease: Significantly increasing the level of acetylcholine in the brain without affecting that in intestine.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, and Glycogen synthase kinase-3 beta, Uniprot O42275, P06276, P22303, and P49841
DOI: 10.7270/q2222zmb
title: BindingDB Entry 50014651: Synthesis and SAR evaluation of coumarin derivatives as potent cannabinoid receptor agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2251n7b
title: BindingDB Entry 9061: Heteroaryl substituted aminopyridine compounds

description: Small molecule binding data for protein Interleukin-1 receptor-associated kinase 4, Uniprot Q9NWZ3
DOI: 10.7270/q2251n8s
title: BindingDB Entry 9448: Heterocyclic compounds as immunomodulators

description: Small molecule binding data for protein Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167], Uniprot Q15116 and Q9NZQ7
DOI: 10.7270/q2251n97
title: BindingDB Entry 9835: Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof

description: Small molecule binding data for protein RAF proto-oncogene serine/threonine-protein kinase, Serine/threonine-protein kinase B-raf, and Vascular endothelial growth factor receptor 2, Uniprot P04049, P15056, and P35968
DOI: 10.7270/q2251nbp
title: BindingDB Entry 10222: MAP kinase modulators and uses thereof

description: Small molecule binding data for protein Casein kinase I isoform delta and Mitogen-activated protein kinase 14, Uniprot P48730 and Q16539
DOI: 10.7270/q2251nc4
title: BindingDB Entry 10431: Aminobenzimidazole derivatives, treatments, and methods of inhibiting histone deacetylase

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 3, Histone deacetylase 6, and Polyamine deacetylase HDAC10, Uniprot O15379, Q13547, Q969S8, and Q9UBN7
DOI: 10.7270/q2251ndk
title: BindingDB Entry 10609: Inhibitors of lysine gingipain

description: Small molecule binding data for protein Lys-gingipain, Uniprot B2RLK2
DOI: 10.7270/q2251nf1
title: BindingDB Entry 10818: Triazolo-azepine derivatives

description: Small molecule binding data for protein Isoform APP695 of Amyloid-beta precursor protein [K595N,M596L], Uniprot P05067
DOI: 10.7270/q2251ngg
title: BindingDB Entry 50007062: Drug Design Targeting T-Cell Factor-Driven Epithelial-Mesenchymal Transition as a Therapeutic Strategy for Colorectal Cancer.

description: Small molecule binding data for protein DNA topoisomerase 2-alpha, Uniprot P11388
DOI: 10.7270/q2251nhx
title: BindingDB Entry 50007675: Design, Synthesis, Dynamic Docking, Biochemical Characterization, and

description: Small molecule binding data for protein DNA topoisomerase 2-alpha, Uniprot P11388
DOI: 10.7270/q2251njc
title: BindingDB Entry 50008284: Metal-Binding Pharmacophore Library Yields the Discovery of a Glyoxalase 1 Inhibitor.

description: Small molecule binding data for protein Lactoylglutathione lyase, Uniprot Q04760
DOI: 10.7270/q2251nkt
title: BindingDB Entry 50008618: Design, synthesis and biological evaluation of anthranilamide derivatives as potential factor Xa (fXa) inhibitors.

description: Small molecule binding data for protein Coagulation factor IX, Coagulation factor VII, Coagulation factor X, Prothrombin, and Serine protease 1/Trypsin-2/Trypsin-3, Uniprot P00734, P00740, P00742, P07477, P07478, P08709, and P35030
DOI: 10.7270/q2251nm8
title: BindingDB Entry 50008935: A new lateral root growth inhibitor from the sponge-derived fungus Aspergillus sp. LS45.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P21836
DOI: 10.7270/q2251nnq
title: BindingDB Entry 50009265: 5-Lipoxygenase as a drug target: A review on trends in inhibitors structural design, SAR and mechanism based approach.

description: Small molecule binding data for protein Polyunsaturated fatty acid 5-lipoxygenase, Uniprot P09917 and P12527
DOI: 10.7270/q2251np5
title: BindingDB Entry 50009872: Novel Series of Potent Glucokinase Activators Leading to the Discovery of AM-2394.

description: Small molecule binding data for protein Hexokinase-4, Uniprot P35557
DOI: 10.7270/q2251nqm
title: BindingDB Entry 50010444: Rational design, synthesis and biological profiling of new KDM4C inhibitors.

description: Small molecule binding data for protein Lysine-specific demethylase 4A and Lysine-specific demethylase 4C, Uniprot O75164 and Q9H3R0
DOI: 10.7270/q2251nr2
title: BindingDB Entry 50011074: Pyroglutamide-Based P2X7 Receptor Antagonists Targeting Inflammatory Bowel Disease.

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572
DOI: 10.7270/q2251nsh
title: BindingDB Entry 50011695: Towards a RIOK2 chemical probe: cellular potency improvement of a selective 2-(acylamino)pyridine series.

description: Small molecule binding data for protein Glycogen synthase kinase-3 alpha, Homeodomain-interacting protein kinase 1, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8, SNF-related serine/threonine-protein kinase, and Serine/threonine-protein kinase RIO2, Uniprot P45983, P49840, P53779, Q86Z02, Q9BVS4, and Q9NRH2
DOI: 10.7270/q2251ntz
title: BindingDB Entry 50012048: Discovery of Bispecific Antagonists of Retinol Binding Protein 4 That Stabilize Transthyretin Tetramers: Scaffolding Hopping, Optimization, and Preclinical Pharmacological Evaluation as a Potential Therapy for Two Common Age-Related Comorbidities.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Peroxisome proliferator-activated receptor gamma, Retinol-binding protein 4, and Transthyretin, Uniprot P02753, P02766, P37231, and P40989
DOI: 10.7270/q2251nvd
title: BindingDB Entry 50012319: Structural optimization of pyrazolo[1,5-a]pyrimidine derivatives as potent and highly selective DPP-4 inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4, Dipeptidyl peptidase 8, and Dipeptidyl peptidase 9, Uniprot P27487, Q6V1X1, and Q86TI2
DOI: 10.7270/q2251nwv
title: BindingDB Entry 50012659: Structure-based linker exploration: Discovery of 1-ethyl-1H-indole analogs as novel ATX inhibitors.

description: Small molecule binding data for protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Uniprot Q13822
DOI: 10.7270/q2251nx9
title: BindingDB Entry 50013308: Synthesis and biological evaluation of 4-(pyridin-4-oxy)-3-(3,3-difluorocyclobutyl)-pyrazole derivatives as novel potent transforming growth factor-β type 1 receptor inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14 and TGF-beta receptor type-1, Uniprot P36897, Q16539, and Q64729
DOI: 10.7270/q2251nzr
title: BindingDB Entry 50013940: Folate-targeted verrucarin A reduces the number of activated macrophages in a mouse model of acute peritonitis.

description: Small molecule binding data for protein Folate receptor alpha and Folate receptor beta, Uniprot P14207 and P15328
DOI: 10.7270/q2251p0m
title: BindingDB Entry 50014607: Δ

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, Fatty-acid amide hydrolase 1, Lysophosphatidylserine lipase ABHD12, Monoacylglycerol lipase ABHD6, and Monoglyceride lipase, Uniprot O00519, P21554, P34972, Q8N2K0, Q99685, and Q9BV23
DOI: 10.7270/q2280bnn
title: BindingDB Entry 9030: Cyanopyrrolidine derivatives as inhibitors for DUBs

description: Small molecule binding data for protein OTU domain-containing protein 7B, Uniprot Q6GQQ9
DOI: 10.7270/q2280bp3
title: BindingDB Entry 9239: Biaryl amide compounds as kinase inhibitors

description: Small molecule binding data for protein RAF proto-oncogene serine/threonine-protein kinase, RAF proto-oncogene serine/threonine-protein kinase [325-648], and Serine/threonine-protein kinase B-raf [V600E], Uniprot P04049 and P15056
DOI: 10.7270/q2280bqj
title: BindingDB Entry 9626: Tyrosine kinase inhibitor and application thereof

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/q2280br0
title: BindingDB Entry 10013: Fused pyrimidine compound or salt thereof

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase receptor Ret, Proto-oncogene tyrosine-protein kinase receptor Ret [V804L], and Proto-oncogene tyrosine-protein kinase receptor Ret [V804M], Uniprot P07949
DOI: 10.7270/q2280bsf
title: BindingDB Entry 10400: Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof

description: Small molecule binding data for protein Low molecular weight phosphotyrosine protein phosphatase, Uniprot P24666
DOI: 10.7270/q2280btw
title: BindingDB Entry 10787: Dihydrooxadiazinones

description: Small molecule binding data for protein cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A and cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B, Uniprot Q13370 and Q14432
DOI: 10.7270/q2280bvb
title: BindingDB Entry 50006744: Lead identification and characterization of hTrkA type 2 inhibitors.

description: Small molecule binding data for protein BDNF/NT-3 growth factors receptor and High affinity nerve growth factor receptor, Uniprot P04629, P35739, and Q16620
DOI: 10.7270/q2280bws
title: BindingDB Entry 50007013: Old but Gold: Tracking the New Guise of Histone Deacetylase 6 (HDAC6) Enzyme as a Biomarker and Therapeutic Target in Rare Diseases.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 6, and Histone deacetylase 8, Uniprot O15379, Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q2280bx7
title: BindingDB Entry 50007328: Di- and heptavalent nicotinic analogues to interfere with α7 nicotinic acetylcholine receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor subunit alpha-7, Uniprot P36544
DOI: 10.7270/q2280bzp
title: BindingDB Entry 50007949: Discovery of Benzo[

description: Small molecule binding data for protein Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, and Peregrin, Uniprot O60885, P25440, P55201, Q15059, and Q58F21
DOI: 10.7270/q2280c0j
title: BindingDB Entry 50008561: Benzenesulfonamide Derivatives as Calcium/Calmodulin-Dependent Protein Kinase Inhibitors and Antiviral Agents against Dengue and Zika Virus Infections.

description: Small molecule binding data for protein Calcium/calmodulin-dependent protein kinase type II subunit alpha, Uniprot Q9UQM7
DOI: 10.7270/q2280c10
title: BindingDB Entry 50009214: Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.

description: Small molecule binding data for protein DNA (cytosine-5)-methyltransferase 1, Histone-lysine N-methyltransferase EHMT1, and Histone-lysine N-methyltransferase EHMT2, Uniprot P26358, Q96KQ7, and Q9H9B1
DOI: 10.7270/q2280c2f
title: BindingDB Entry 50009547: Synthesis and anti-tumor activity of imidazopyrazines as TAK1 inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 3A4, and Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, Uniprot O43318, P05177, P08684, P11712, P20813, P33261, P40989, and Q15750
DOI: 10.7270/q2280c3w
title: BindingDB Entry 50009832: Potential Treatment for Neuropsychiatry Disorders with TRPC5 Modulators.

description: Small molecule binding data for protein Short transient receptor potential channel 5, Uniprot Q9UL62
DOI: 10.7270/q2280c4b
title: BindingDB Entry 50010146: Identification and characterization of potent and selective inhibitors targeting protein tyrosine phosphatase 1B (PTP1B).

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/q2280c5s
title: BindingDB Entry 50010406: Mechanism of Action of an EPAC1-Selective Competitive Partial Agonist.

description: Small molecule binding data for protein Rap guanine nucleotide exchange factor 3, Uniprot O95398
DOI: 10.7270/q2280c67
title: BindingDB Entry 50010732: Naphthacemycins from a

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 1, Uniprot P18031
DOI: 10.7270/q2280c7p
title: BindingDB Entry 50011364: TBA

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Egl nine homolog 1, Uniprot P05177, P08684, P10635, P11712, and Q9GZT9
DOI: 10.7270/q2280c84
title: BindingDB Entry 50012003: Discovery, SAR study and ADME properties of methyl 4-amino-3-cyano-1-(2-benzyloxyphenyl)-1

description: Small molecule binding data for protein Reverse transcriptase/RNaseH, Uniprot Q72547
DOI: 10.7270/q2280c9k
title: BindingDB Entry 50012618: Design, synthesis, and biological activity of 4-(imidazo[1,2-b]pyridazin-3-yl)-1H-pyrazol-1-yl-phenylbenzamide derivatives as BCR-ABL kinase inhibitors.

description: Small molecule binding data for protein Breakpoint cluster region protein/Tyrosine-protein kinase ABL1, Uniprot P00519 and P11274
DOI: 10.7270/q2280cb1
title: BindingDB Entry 50012946: Novel Bicyclic Heteroaryl Compounds as γ-Secretase Modulators for Treating Alzheimer's Disease.

description: Small molecule binding data for protein Presenilin-1, Uniprot P49768
DOI: 10.7270/q2280ccg
title: BindingDB Entry 50013249: Design, synthesis and biological evaluation of 1-alkyl-5/6-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-1H-indole-3-carbonitriles as novel xanthine oxidase inhibitors.

description: Small molecule binding data for protein Xanthine dehydrogenase/oxidase, Uniprot P80457
DOI: 10.7270/q2280cdx
title: BindingDB Entry 50013585: Beyond Basicity: Discovery of Nonbasic DENV-2 Protease Inhibitors with Potent Activity in Cell Culture.

description: Small molecule binding data for protein Genome polyprotein, Uniprot P29990
DOI: 10.7270/q2280cfc
title: BindingDB Entry 50014254: Discovery of 1,2,4-triazine dithiocarbamate derivatives as NEDDylation agonists to inhibit gastric cancers.

description: Small molecule binding data for protein NEDD8-activating enzyme E1 regulatory subunit, Uniprot Q13564
DOI: 10.7270/q22b921c
title: BindingDB Entry 9208: Degradation of tripartite motif-containing protein 24 (TRIM24) by conjugation of TRIM24 inhibitors with E3 ligase ligand and methods of use

description: Small molecule binding data for protein Transcription intermediary factor 1-alpha, Uniprot O15164
DOI: 10.7270/q22b922t
title: BindingDB Entry 9417: Amino pyrimidine ssao inhibitors

description: Small molecule binding data for protein Membrane primary amine oxidase, Uniprot Q16853
DOI: 10.7270/q22b9238
title: BindingDB Entry 9595: Highly active compounds against COVID-19

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0C6X1 and P0C6X6
DOI: 10.7270/q22b924q
title: BindingDB Entry 9804: Therapeutic compounds and uses thereof

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q22b9255
title: BindingDB Entry 9982: Diacylglycerol acyl transferase 2 inhibitor

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 2, Uniprot Q96PD7
DOI: 10.7270/q22b926m
title: BindingDB Entry 10191: Selective estrogen receptor degraders

description: Small molecule binding data for protein Estrogen receptor and Estrogen receptor [Y537S], Uniprot P03372
DOI: 10.7270/q22b9272
title: BindingDB Entry 10578: Hsp90 inhibitors and uses thereof

description: Small molecule binding data for protein Heat shock protein 90 homolog and Hsp90 chaperone protein kinase-targeting subunit, Uniprot F5H9H0 and P46598
DOI: 10.7270/q22b928h
title: BindingDB Entry 50006692: Antioxidant, Anti-inflammatory, and Neuroprotective Effects of Novel Vinyl Sulfonate Compounds as Nrf2 Activator.

description: Small molecule binding data for protein Nuclear factor erythroid 2-related factor 2, Uniprot Q16236
DOI: 10.7270/q22b929z
title: BindingDB Entry 50007282: Identification of BR101549 as a lead candidate of non-TZD PPARγ agonist for the treatment of type 2 diabetes: Proof-of-concept evaluation and SAR.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, and Type-1 angiotensin II receptor, Uniprot P30556, P37231, P40989, Q03181, and Q07869
DOI: 10.7270/q22b92bd
title: BindingDB Entry 50007632: Targeting Stimulator of Interferon Genes (STING): A Medicinal Chemistry Perspective.

description: Small molecule binding data for protein Stimulator of interferon genes protein, Uniprot Q3TBT3 and Q86WV6
DOI: 10.7270/q22b92cv
title: BindingDB Entry 50007900: Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Acetylcholinesterase, Aurora kinase A, Aurora kinase B, Bromodomain-containing protein 4, Cholinesterase, Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha', Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C, Epidermal growth factor receptor, Estrogen receptor, Estrogen receptor beta, Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, Histone deacetylase 1, Histone deacetylase 6, Mitogen-activated protein kinase kinase kinase 20, Prostaglandin G/H synthase 2, Receptor-type tyrosine-protein kinase FLT3, Serine/threonine-protein kinase PLK1, Tyrosine-protein kinase ABL1, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, cGMP-dependent 3',5'-cyclic phosphodiesterase, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O14965, O42275, O60658, O60885, O76074, O76083, P00519, P00533, P03372, P11362, P21802, P22455, P22607, P27815, P35354, P36888, P40989, P51160, P53350, P81908, Q01064, Q08499, Q13547, Q13946, Q14123, Q14432, Q92731, Q96GD4, Q9NYL2, Q9UBN7, and Q9Y233
DOI: 10.7270/q22b92d9
title: BindingDB Entry 50008237: Triazole derivatives as inhibitors of Alzheimer's disease: Current developments and structure-activity relationships.

description: Small molecule binding data for protein Acetylcholine receptor subunit epsilon, Acetylcholinesterase, Amyloid-beta precursor protein, Beta-secretase 1, and Cholinesterase, Uniprot O42275, P05067, P06276, P56817, P81908, and Q04844
DOI: 10.7270/q22b92fr
title: BindingDB Entry 50008880: The in vivo antinociceptive and μ-opioid receptor activating effects of the combination of N-phenyl-2',4'-dimethyl-4,5'-bi-1,3-thiazol-2-amines and naloxone.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q22b92g6
title: BindingDB Entry 50009505: Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.

description: Small molecule binding data for protein Cytochrome P450 4B1, Indoleamine 2,3-dioxygenase 1, Nuclear receptor subfamily 1 group I member 2, and Tryptophan 2,3-dioxygenase, Uniprot O75469, P13584, P14902, P28776, P48775, and Q9ERD9
DOI: 10.7270/q22b92hn
title: BindingDB Entry 50010106: Fragment-to-Lead Medicinal Chemistry Publications in 2017.

description: Small molecule binding data for protein Cyclic GMP-AMP synthase and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07820 and Q8N884
DOI: 10.7270/q22b92j3
title: BindingDB Entry 50010674: Virtual screening identification and chemical optimization of substituted 2-arylbenzimidazoles as new non-zinc-binding MMP-2 inhibitors.

description: Small molecule binding data for protein 72 kDa type IV collagenase, Collagenase 3, Matrix metalloproteinase-9, and Neutrophil collagenase, Uniprot P08253, P14780, P22894, and P45452
DOI: 10.7270/q22b92kj
title: BindingDB Entry 50011029: Structural manipulation of aporphines via C10 nitrogenation leads to the identification of new 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, D(1A) dopamine receptor, D(2) dopamine receptor, D(3) dopamine receptor, and D(4) dopamine receptor, Uniprot P08908, P14416, P21728, P21917, P28223, P34969, P35462, and P50406
DOI: 10.7270/q22b92m0
title: BindingDB Entry 50011313: Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q22b92nf
title: BindingDB Entry 50011645: Elongation of the side chain by linear alkyl groups increases the potency of salacinol, a potent α-glucosidase inhibitor from the Ayurvedic traditional medicine "Salacia," against human intestinal maltase.

description: Small molecule binding data for protein Maltase-glucoamylase, Uniprot O43451
DOI: 10.7270/q22b92pw
title: BindingDB Entry 50012269: 3-Methylthiazolo[3,2-a]benzimidazole-benzenesulfonamide conjugates as novel carbonic anhydrase inhibitors endowed with anticancer activity: Design, synthesis, biological and molecular modeling studies.

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/q22b92qb
title: BindingDB Entry 50012899: First Structure-Activity Relationship Study of Potent BLT2 Agonists as Potential Wound-Healing Promoters.

description: Small molecule binding data for protein Leukotriene B4 receptor 2, Uniprot Q9NPC1
DOI: 10.7270/q22b92rs
title: BindingDB Entry 50013542: Discovery of GNE-502 as an orally bioavailable and potent degrader for estrogen receptor positive breast cancer.

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372