cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2988b0b
title: BindingDB Entry 50006243: β-sheet interfering molecules acting against β-amyloid aggregation and fibrillogenesis.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2nk3j04
title: BindingDB Entry 50006249: In silico studies, synthesis and binding evaluation of substituted 2-pyrrolidinones as peptidomimetics of RGD tripeptide sequence.

description: Small molecule binding data for protein ITGAV/ITGB3 and ITGAV/ITGB5, Uniprot L7RT22, L7RXH0, P05106, P06756, and P18084
DOI: 10.7270/q2sb48qf
title: BindingDB Entry 50006248: Design and synthesis of potent and multifunctional aldose reductase inhibitors based on quinoxalinones.

description: Small molecule binding data for protein Aldose reductase, Uniprot P07943
DOI: 10.7270/q2x351f5
title: BindingDB Entry 50006247: Further insights into the SAR of α-substituted cyclopropylamine derivatives as inhibitors of histone demethylase KDM1A.

description: Small molecule binding data for protein REST corepressor 1, Uniprot Q9UKL0
DOI: 10.7270/q28d007c
title: BindingDB Entry 50006252: Discovery of novel P1 groups for coagulation factor VIIa inhibition using fragment-based screening.

description: Small molecule binding data for protein Coagulation factor III/Factor VIIa (fVIIa), Uniprot P08709 and P13726
DOI: 10.7270/q2d221m8
title: BindingDB Entry 50006251: Luotonin-A based quinazolinones cause apoptosis and senescence via HDAC inhibition and activation of tumor suppressor proteins in HeLa cells.

description: Small molecule binding data for protein Histone deacetylase (HDAC1 and HDAC2), Uniprot Q13547, Q6IT96, and Q92769
DOI: 10.7270/q2ht2s9v
title: BindingDB Entry 50006250: Neoechinulin B and its analogues as potential entry inhibitors of influenza viruses, targeting viral hemagglutinin.

description: Small molecule binding data for protein Hemagglutinin, Uniprot B4URE7
DOI: 10.7270/q24m97jj
title: BindingDB Entry 50006253: Discovery of novel indirubin-3'-monoxime derivatives as potent inhibitors against CDK2 and CDK9.

description: Small molecule binding data for protein CDK2/CycE and Cyclin-Dependent Kinase 9 (CDK9), Uniprot A0A024R880, A0A024RB77, O60563, P24864, P24941, and P50750
DOI: 10.7270/q20v8gsc
title: BindingDB Entry 50006254: Non-electrophilic modulators of the canonical Keap1/Nrf2 pathway.

description: Small molecule binding data for protein Nuclear factor erythroid 2-related factor 2, Uniprot Q16236
DOI: 10.7270/q2w3809s
title: BindingDB Entry 50006255: Perturbation of the c-Myc-Max protein-protein interaction via synthetic α-helix mimetics.

description: Small molecule binding data for protein c-Myc/Max, Uniprot A0A024R9L7, P01106, and P61244
DOI: 10.7270/q2gt5r6x
title: BindingDB Entry 50006258: Bacillusin A, an Antibacterial Macrodiolide from Bacillus amyloliquefaciens AP183.

description: Small molecule binding data for protein Cytochrome P450 11A1, Uniprot P14137
DOI: 10.7270/q2mk6gws
title: BindingDB Entry 50006257: Quantitative prediction of CYP2B6 induction by estradiol during pregnancy: potential explanation for increased methadone clearance during pregnancy.

description: Small molecule binding data for protein Cytochrome P450 2B6, Uniprot P20813
DOI: 10.7270/q2rb77k2
title: BindingDB Entry 50006256: MICE models: superior to the HERG model in predicting Torsade de Pointes.

description: Small molecule binding data for protein Voltage-gated L-type calcium channel, Uniprot O60840, Q01668, Q13698, and Q13936
DOI: 10.7270/q27d2z42
title: BindingDB Entry 50006260: Substituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2c53ptx
title: BindingDB Entry 50006259: Exploiting the Polypharmacology of ß-Carbolines to Disrupt O. volvulus Molting.

description: Small molecule binding data for protein Chitinase, Uniprot Q25615
DOI: 10.7270/q23n26c8
title: BindingDB Entry 50006261: Design, Synthesis, and Evaluation of 4- and 5-Substituted

description: Small molecule binding data for protein Glycerol-3-phosphate acyltransferase 1, mitochondrial, Uniprot Q61586
DOI: 10.7270/q2zw1pwk
title: BindingDB Entry 50006262: Selective Inhibition of Bacterial Topoisomerase I by alkynyl-bisbenzimidazoles.

description: Small molecule binding data for protein DNA topoisomerase I and Topoisomerase I/II, Uniprot P11387 and P11388
DOI: 10.7270/q2qc06h4
title: BindingDB Entry 50006265: N-Substituted Quinolinonyl Diketo Acid Derivatives as HIV Integrase Strand Transfer Inhibitors and Their Activity against RNase H Function of Reverse Transcriptase.

description: Small molecule binding data for protein Integrase and Reverse transcriptase, Uniprot F2WR39,F2WR52,Q76353 and Q9WKE8
DOI: 10.7270/q2kk9ft9
title: BindingDB Entry 50006270: Structure-based design of potent HIV-1 protease inhibitors with modified P1-biphenyl ligands: synthesis, biological evaluation, and enzyme-inhibitor X-ray structural studies.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2v40z5k
title: BindingDB Entry 50006263: Flavonoids from Matteuccia struthiopteris and Their Anti-influenza Virus (H1N1) Activity.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q2fx7dfd
title: BindingDB Entry 50006271: Anti-HIV diarylpyrimidine-quinolone hybrids and their mode of action.

description: Small molecule binding data for protein Integrase and Reverse transcriptase, Uniprot F2WR39,F2WR52,Q76353 and Q9WKE8
DOI: 10.7270/q2b56nrf
title: BindingDB Entry 50006272: Synthesis and antibacterial activities of cadiolides A, B and C and analogues.

description: Small molecule binding data for protein Cytochrome P450 11A1, Uniprot P14137
DOI: 10.7270/q26d5x0p
title: BindingDB Entry 50006273: The biology and synthesis of α-hydroxytropolones.

description: Small molecule binding data for protein Dopamine beta-hydroxylase, Uniprot P09172
DOI: 10.7270/q22n558b
title: BindingDB Entry 50006274: Affinity and kinetics study of anthranilic acids as HCA2 receptor agonists.

description: Small molecule binding data for protein HM74 nicotinic acid GPCR and Hydroxycarboxylic acid receptor 2, Uniprot A0A4Y1JWQ0, P49019, and Q8TDS4
DOI: 10.7270/q2xw4nsn
title: BindingDB Entry 50006275: Dehydro-β-proline Containing α4β1 Integrin Antagonists: Stereochemical Recognition in Ligand-Receptor Interplay.

description: Small molecule binding data for protein ITGA5/ITGB1, ITGAV/ITGB3, and Integrin α4β7, Uniprot L7RXH0, P05106, P05556, P06756, P08648, P13612, and P26010
DOI: 10.7270/q2pg1vqs
title: BindingDB Entry 50006277: Synthesis and biological evaluation of novel histone deacetylases inhibitors with nitric oxide releasing activity.

description: Small molecule binding data for protein Histone deacetylase (HDAC1 and HDAC2), Uniprot Q13547, Q6IT96, and Q92769
DOI: 10.7270/q2t43x33
title: BindingDB Entry 50006276: Synthesis and evaluation of N-analogs of 1,2-diarylethane as Helicobacter pylori urease inhibitors.

description: Small molecule binding data for protein Urease subunit beta, Uniprot P69996
DOI: 10.7270/q2jq1419
title: BindingDB Entry 50006278: Design, synthesis and preliminary bioactivity evaluations of substituted quinoline hydroxamic acid derivatives as novel histone deacetylase (HDAC) inhibitors.

description: Small molecule binding data for protein Histone deacetylase (HDAC1 and HDAC2), Uniprot Q13547, Q6IT96, and Q92769
DOI: 10.7270/q2959mkm
title: BindingDB Entry 50006280: A New Class of Potent N-Methyl-D-Aspartate Receptor Inhibitors: Sulfated Neuroactive Steroids with Lipophilic D-Ring Modifications.

description: Small molecule binding data for protein GluN1/GluN2B NMDA receptor, Ionotropic glutamate receptor NMDA 1/2C, Ionotropic glutamate receptor NMDA 1/2D, and NR1/NR2A, Uniprot O15399, Q05586, Q12879, Q13224, Q14957, and Q547U9
DOI: 10.7270/q2dz0cb1
title: BindingDB Entry 50006279: Hybrid chemistry. Part 4: Discovery of etravirine-VRX-480773 hybrids as potent HIV-1 non-nucleoside reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q25d8vvw
title: BindingDB Entry 50006281: Diversity-Oriented Synthesis for Novel, Selective and Drug-like Inhibitors for a Phosphatase from Mycobacterium Tuberculosis.

description: Small molecule binding data for protein Dual specificity protein phosphatase 3, Laforin, Leukocyte common antigen, Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Protein-tyrosine phosphatase 2C, Protein-tyrosine phosphatase MEG2 (PTP-Meg2), and Receptor-type tyrosine-protein phosphatase epsilon (PTPε), Uniprot A8K3M3, O95278, P08575, P18031, P23469, P29350, P43378, P51452, and Q06124
DOI: 10.7270/q21n844z
title: BindingDB Entry 50006282: Cytoprotective effects of hydrogen sulfide-releasing

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot Q6RI86
DOI: 10.7270/q2ww7mq5
title: BindingDB Entry 50006283: Identification of pyrazine-based TrkA inhibitors: design, synthesis, evaluation, and computational modeling studies.

description: Small molecule binding data for protein Ephrin type-B receptor 2, High affinity nerve growth factor receptor, Proto-oncogene tyrosine-protein kinase receptor Ret, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot A0A024R7T2, P04629, P07949, P29323, and P35968
DOI: 10.7270/q2s75k94
title: BindingDB Entry 50006284: Optimization of rhodanine scaffold for the development of protein-protein interaction inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2ng4tn9
title: BindingDB Entry 50006287: Investigation on the sucrose binding pocket of HIV-1 Integrase by molecular dynamics and synergy experiments.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2cz3b56
title: BindingDB Entry 50006291: Design, synthesis and biological evaluation of saccharin-based N-hydroxybenzamides as histone deacetylases (HDACs) inhibitors.

description: Small molecule binding data for protein Histone deacetylase (HDAC1 and HDAC2), Uniprot Q13547, Q6IT96, and Q92769
DOI: 10.7270/q2hq42xz
title: BindingDB Entry 50006288: Synthesis, molecular docking and biological evaluation of 3-arylfuran-2(5H)-ones as anti-gastric ulcer agent.

description: Small molecule binding data for protein Urease subunit beta, Uniprot P69996
DOI: 10.7270/q2862kfs
title: BindingDB Entry 50006292: Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q20p131k
title: BindingDB Entry 50006294: Pyrroloaryls and pyrroloheteroaryls: Inhibitors of the HIV fusion/attachment, reverse transcriptase and integrase.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q24f1tq2
title: BindingDB Entry 50006293: Anti-influenza activities of polyphenols from the medicinal mushroom Phellinus baumii.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q2r78j7n
title: BindingDB Entry 50006297: Discovery of tripeptide-derived multifunctional ligands possessing delta/mu opioid receptor agonist and neurokinin 1 receptor antagonist activities.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, Neurokinin 1 receptor, Nociceptin/mu opioid receptor, and Opioid receptors; mu and delta, Uniprot A2AD37, P14600, P25103, P32300, P33535, P41143, and P97266
DOI: 10.7270/q2w098xh
title: BindingDB Entry 50006296: Identification and optimisation of a 4',5-bisthiazole series of selective phosphatidylinositol-3 kinase alpha inhibitors.

description: Small molecule binding data for protein PIK3CG/PIK3R1, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, and Phosphatidylinositol 4-kinase, PI4K, Uniprot A0A024R720, A0A2K8FKV1, O00329, P42336, P42338, P48736, Q9UBF8, and Q9Z1L0
DOI: 10.7270/q2mg7shx
title: BindingDB Entry 50006303: Discovery of novel triazolobenzazepinones as γ-secretase modulators with central Aβ42 lowering in rodents and rhesus monkeys.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Nuclear receptor subfamily 1 group I member 2, Presenilin-1, and Sodium-dependent serotonin transporter, Uniprot A0A024R6A3, O75469, P31645, P40989, and P49768
DOI: 10.7270/q2765j9d
title: BindingDB Entry 50006306: Discovery of N-aryl-naphthylamines as in vitro inhibitors of the interaction between HIV integrase and the cofactor LEDGF/p75.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2bz691t
title: BindingDB Entry 50006305: Phenolic 4-hydroxy and 3,5-dihydroxy derivatives of 3-phenoxyquinoxalin-2(1H)-one as potent aldose reductase inhibitors with antioxidant activity.

description: Small molecule binding data for protein Aldose reductase, Uniprot P07943
DOI: 10.7270/q2gq71r4
title: BindingDB Entry 50006304: Human SIRT3 tripeptidic inhibitors containing N(ε)-thioacetyl-lysine.

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 1, NAD-dependent deacetylase sirtuin 2, NAD-dependent deacetylase sirtuin 3, NAD-dependent protein deacylase sirtuin-5, mitochondrial, and Sirtuin-6 (SIRT6), Uniprot A0A024QZQ1, A0A024R012, Q8IXJ6, Q8N6T7, Q96EB6, Q9NTG7, and Q9NXA8
DOI: 10.7270/q23f4snk
title: BindingDB Entry 50006307: Multistage virtual screening and identification of novel HIV-1 protease inhibitors by integrating SVM, shape, pharmacophore and docking methods.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2v127vk
title: BindingDB Entry 50006309: Identification of 2,4-diamino-6,7-dimethoxyquinoline derivatives as G9a inhibitors†Electronic supplementary information (ESI) available. See DOI: 10.1039/c4md00274a.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EHMT1/EHMT2, Uniprot A0A024RCN9 and Q96KQ7
DOI: 10.7270/q2zs30jj
title: BindingDB Entry 50006308: A novel family of diarylpyrimidines (DAPYs) featuring a diatomic linker: Design, synthesis and anti-HIV activities.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2q81h3t
title: BindingDB Entry 50006311: 3,5-Diamino-1,2,4-triazoles as a novel scaffold for potent, reversible LSD1 (KDM1A) inhibitors.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A, Amine oxidase [flavin-containing] B, Lysine-specific histone demethylase 1A, and REST corepressor 1, Uniprot O60341, P21397, P27338, Q53YE7, and Q9UKL0
DOI: 10.7270/q2fr00m9
title: BindingDB Entry 50006315: Structure-activity relationship studies of SETD8 inhibitors.

description: Small molecule binding data for protein SET domain-containing protein 8 (SetD8), Uniprot Q9NQR1
DOI: 10.7270/q2kh0rbn
title: BindingDB Entry 50006314: Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.

description: Small molecule binding data for protein Histone Lysine Demethylase, Homo sapiens lysine demethylase 2A (KDM2A), Lysine-specific demethylase 3A, Lysine-specific demethylase 4A, Lysine-specific demethylase 4C, Lysine-specific demethylase 5A/5B, Lysine-specific demethylase 5C, and Lysine-specific demethylase 6B, Uniprot B2RXH2, I3VM53, O15054, O75164, P29375, P41229, Q9H3R0, Q9Y2K7, and Q9Y4C1
DOI: 10.7270/q22j6fvm
title: BindingDB Entry 50006318: Design, synthesis of novel tryptophan derivatives for antiplatelet aggregation activity based on tripeptide pENW (pGlu-Asn-Trp).

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3 and Integrin beta, Uniprot P05106, P08514, Q9TUN3, and Q9TUN4
DOI: 10.7270/q2668h6g
title: BindingDB Entry 50006317: Conformationally restrained carbamoylcholine homologues. Synthesis, pharmacology at neuronal nicotinic acetylcholine receptors and biostructural considerations.

description: Small molecule binding data for protein Neuronal acetylcholine receptor Alpha-3/Beta-4, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit, and Neuronal acetylcholine receptor subunit alpha-4/beta-2, Uniprot O70174, P04757, P09483, P12390, P12392, Q53YK0, and Q9ERK7
DOI: 10.7270/q29z97w1
title: BindingDB Entry 50006316: Pyrimidine sulfonylacetanilides with improved potency against key mutant viruses of HIV-1 by specific targeting of a highly conserved residue.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2t156n9
title: BindingDB Entry 50006320: Synthesis and Biological Evaluation of Manassantin Analogues for Hypoxia-Inducible Factor 1α Inhibition.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha, Uniprot D0VY79, Q16665, and Q99814
DOI: 10.7270/q2p84fw4
title: BindingDB Entry 50006324: Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2xs5zds
title: BindingDB Entry 50006319: Phenothiazine-based CaaX competitive inhibitors of human farnesyltransferase bearing a cysteine, methionine, serine or valine moiety as a new family of antitumoral compounds.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT), Uniprot A0A384MEJ5, P49354, and P49356
DOI: 10.7270/q2jh3q5t
title: BindingDB Entry 50006326: Synthetic, structural mimetics of the β-hairpin flap of HIV-1 protease inhibit enzyme function.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q29026sz
title: BindingDB Entry 50006328: Design, Synthesis, and Biological Evaluation of Indole Biphenylcarboxylic Acids as PPARγ Antagonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q2dr2zgj
title: BindingDB Entry 50006327: Ligand binding studies, preliminary structure-activity relationship and detailed mechanistic characterization of 1-phenyl-6,6-dimethyl-1,3,5-triazine-2,4-diamine derivatives as inhibitors of Escherichia coli dihydrofolate reductase.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot B0BL08
DOI: 10.7270/q21j9ds4
title: BindingDB Entry 50006332: Discovery of novel, potent and low-toxicity angiotensin II receptor type 1 (AT1) blockers: Design, synthesis and biological evaluation of 6-substituted aminocarbonyl benzimidazoles with a chiral center.

description: Small molecule binding data for protein Angiotensin II receptor, Uniprot P30556 and Q53YY0
DOI: 10.7270/q25b05gz
title: BindingDB Entry 50006329: Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors.

description: Small molecule binding data for protein Tankyrase 1/2, Uniprot O95271 and Q9H2K2
DOI: 10.7270/q2ws8x7z
title: BindingDB Entry 50006333: Evaluation of small molecule SecA inhibitors against methicillin-resistant Staphylococcus aureus.

description: Small molecule binding data for protein Protein translocase subunit SecA 1 and Protein translocase subunit SecA 2, Uniprot O06446 and Q2FUW6
DOI: 10.7270/q2hh6p1f
title: BindingDB Entry 50006339: Optimization of on-resin palladium-catalyzed Sonogashira cross-coupling reaction for peptides and its use in a structure-activity relationship study of a class B GPCR ligand.

description: Small molecule binding data for protein Pituitary adenylate cyclase-activating polypeptide type I receptor, Vasoactive intestinal polypeptide receptor 1, and Vasoactive intestinal polypeptide receptor 2, Uniprot A0A090N8F8, P32241, P41586, P41587, and X5D7Q6
DOI: 10.7270/q2n87drr
title: BindingDB Entry 50006338: Antiviral activity of benzotriazole derivatives. 5-[4-(Benzotriazol-2-yl)phenoxy]-2,2-dimethylpentanoic acids potently and selectively inhibit Coxsackie Virus B5.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot F1D8S4, P37231, and Q07869
DOI: 10.7270/q2s185gg
title: BindingDB Entry 50006336: Mutational mapping of the transmembrane binding site of the G-protein coupled receptor TGR5 and binding mode prediction of TGR5 agonists.

description: Small molecule binding data for protein G-protein coupled bile acid receptor 1, Uniprot Q8TDU6
DOI: 10.7270/q2833w1g
title: BindingDB Entry 50006341: Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.

description: Small molecule binding data for protein Epidermal growth factor receptor and MER intracellular domain/EGFR extracellular domain chimera, Uniprot P00533, P04626, P21860, Q15303, and X5DNK3
DOI: 10.7270/q2cr5xb5
title: BindingDB Entry 50006340: Synthesis of dihydropyrimidine α,γ-diketobutanoic acid derivatives targeting HIV integrase.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q24b34bk
title: BindingDB Entry 50006342: Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.

description: Small molecule binding data for protein DNA gyrase, Uniprot A0A068A4Y4 and P0A0K8
DOI: 10.7270/q20k2ckd
title: BindingDB Entry 50006343: 2-Aminopyrimidines as dual adenosine A1/A2A antagonists.

description: Small molecule binding data for protein Adenosine receptor and Adenosine receptor A2a and A3, Uniprot P25099 and P30543
DOI: 10.7270/q2r214c3
title: BindingDB Entry 50006347: Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.

description: Small molecule binding data for protein Adrenergic receptor, Histamine H2 receptor, Nitric oxide synthase, inducible, Nitric-oxide synthase (endothelial and brain), Nitric-oxide synthase, brain, Nitric-oxide synthase, endothelial, and Sodium-dependent serotonin transporter, Uniprot B3VK56, P18825, P25021, P29473, P29475, P29476, P29477, P31645, and Q4W594
DOI: 10.7270/q2vt1w34
title: BindingDB Entry 50006345: Discovery of Novel Multifunctional Ligands with μ/δ Opioid Agonist/Neurokinin-1 (NK1) Antagonist Activities for the Treatment of Pain.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, Neurokinin 1 receptor, and Opioid receptors; mu and delta, Uniprot A2AD37, P14600, P25103, P32300, P35372, P41143, and P97266
DOI: 10.7270/q2m90cnc
title: BindingDB Entry 50006349: Synthesis and Evaluation of a Radioiodinated Tracer with Specificity for Poly(ADP-ribose) Polymerase-1 (PARP-1) in Vivo.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Uniprot A0A024R3T8 and P09874
DOI: 10.7270/q2bv7km3
title: BindingDB Entry 50006354: Novel tetracyclic benzo[b]carbazolones as highly potent and orally bioavailable ALK inhibitors: design, synthesis, and structure-activity relationship study.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Uniprot Q9UM73