cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2r49t6v
title: BindingDB Entry 50000635: Therapeutic potentials of baicalin and its aglycone, baicalein against inflammatory disorders.

description: Small molecule binding data for protein Cytochrome P450 1A and Cytochrome P450 3A, Uniprot P05177, P08684, and Q6GRK0
DOI: 10.7270/q2vx0jxd
title: BindingDB Entry 50000634: Design, synthesis and evaluation of novel feruloyl-donepezil hybrids as potential multitarget drugs for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q2mg7rzb
title: BindingDB Entry 50000636: MAO enzymes inhibitory activity of new benzimidazole derivatives including hydrazone and propargyl side chains.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A and Amine oxidase [flavin-containing] B, Uniprot P21397, P27338, and Q53YE7
DOI: 10.7270/q2gq717d
title: BindingDB Entry 50000637: Design, synthesis and biological evaluation of multifunctional tacrine-curcumin hybrids as new cholinesterase inhibitors with metal ions-chelating and neuroprotective property.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P04058 and P81908
DOI: 10.7270/q2bz68hp
title: BindingDB Entry 50000638: t-Butyl pyridine and phenyl C-region analogues 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/q2765hs8
title: BindingDB Entry 50000639: Modulation of opioid receptor affinity and efficacy via N-substitution of 9β-hydroxy-5-(3-hydroxyphenyl)morphan: Synthesis and computer simulation study.

description: Small molecule binding data for protein Kappa-type opioid receptor, Nociceptin/mu opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, P34975, and P41145
DOI: 10.7270/q23f4s3d
title: BindingDB Entry 50000640: Design, synthesis and biological evaluation of 7-methylimidazo[1,5-a]pyrazin-8(7H)-one derivatives as BRD4 inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2tx3htg
title: BindingDB Entry 50000642: Synthesis and human/bacterial carbonic anhydrase inhibition with a series of sulfonamides incorporating phthalimido moieties.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot P00915, P00918, V9HW21, and V9HWE3
DOI: 10.7270/q2zp48j6
title: BindingDB Entry 50000641: Design and characterization of opioid ligands based on cycle-in-macrocycle scaffold.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q2q81ghs
title: BindingDB Entry 50000643: Competitive protein tyrosine phosphatase 1B (PTP1B) inhibitors, prenylated caged xanthones from Garcinia hanburyi and their inhibitory mechanism.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot A8K3M3 and P18031
DOI: 10.7270/q2kh0qs2
title: BindingDB Entry 50000644: Synthesis of conformationally restricted 1,3-dioxanes to analyze the bioactive conformation of 1,3-dioxane-basedσ

description: Small molecule binding data for protein Sigma-1 receptor and Sigma-2 receptor, Uniprot Q5U3Y7 and Q60492
DOI: 10.7270/q2fr0024
title: BindingDB Entry 50000645: Y-shaped bis-arylethenesulfonic acid esters: Potential potent and membrane permeable protein tyrosine phosphatase 1B inhibitors.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Tyrosine-protein phosphatase non-receptor type 11, and Tyrosine-protein phosphatase non-receptor type 2, Uniprot A8K3M3, P17706, P18031, and Q06124
DOI: 10.7270/q29z97bv
title: BindingDB Entry 50000646: Discovery of novel benzothienoazepine derivatives as potent inhibitors of respiratory syncytial virus.

description: Small molecule binding data for protein Matrix M2-1, Nucleoprotein, and Phosphoprotein, Uniprot P03418, P03421, and P04545
DOI: 10.7270/q2668gmf
title: BindingDB Entry 50000648: Original endomorphin-1 analogues exhibit good analgesic effects with minimal implications for human sperm motility.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and Opioid receptors; mu & delta, Uniprot P33533 and P33535
DOI: 10.7270/q22f7qwq
title: BindingDB Entry 50000650: Divergent synthesis of kinase inhibitor derivatives, leading to discovery of selective Gck inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 2, Uniprot A0A024R567 and Q12851
DOI: 10.7270/q2xp77dt
title: BindingDB Entry 50000651: A bromopyrrole-containing diterpene alkaloid from the Okinawan marine sponge Agelas nakamurai activates the insulin pathway in Huh-7 human hepatoma cells by inhibiting protein tyrosine phosphatase 1B.

description: Small molecule binding data for protein Dual specificity protein phosphatase 3, Leukocyte common antigen, Protein-tyrosine phosphatase 1B, and Tyrosine-protein phosphatase non-receptor type 2, Uniprot A8K3M3, P08575, P17706, P18031, and P51452
DOI: 10.7270/q2p84fbz
title: BindingDB Entry 50000653: Return of D

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2C, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, Adrenergic receptor alpha-1, Adrenergic receptor alpha-2, Alpha-1A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, D(2) dopamine receptor, D(3) dopamine receptor, D(4) dopamine receptor, Dopamine D1 and D2 receptor, Dopamine receptor, Histamine H1 receptor, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Serotonin (5-HT) receptor, Serotonin 3 (5-HT3) receptor, Sigma intracellular receptor 2, and Sigma non-opioid intracellular receptor 1, Uniprot A0A024R3C5, A0A024R9I2, B0ZBE0, P08908, P08912, P08913, P14416, P18089, P18825, P21728, P21917, P21918, P25100, P28222, P28223, P28335, P34969, P35348, P35367, P35368, P35462, P46098, P50406, Q4W594, Q5BJF2, Q5ZGX3, Q99720, and X5D7I5
DOI: 10.7270/q2t1562p
title: BindingDB Entry 50000652: Fluorinated tranylcypromine analogues as inhibitors of lysine-specific demethylase 1 (LSD1, KDM1A).

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2jh3pm7
title: BindingDB Entry 50000654: Discovery of N-(5-Fluoropyridin-2-yl)-6-methyl-4-(pyrimidin-5-yloxy)picolinamide (VU0424238): A Novel Negative Allosteric Modulator of Metabotropic Glutamate Receptor Subtype 5 Selected for Clinical Evaluation.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Inward rectifier potassium channel 2, Kv channel-interacting protein 2/Potassium voltage-gated channel subfamily D member 3, L-type calcium channel alpha-1c/beta-2/alpha2delta-1, Melanin-concentrating hormone receptor 2/HERG, Metabotropic glutamate receptor 5, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4, Sodium channel protein type 5 subunit alpha, Sodium-dependent dopamine transporter, Voltage-dependent T-type calcium channel subunit alpha-1H, and Voltage-gated potassium channel, Uniprot A0A090N8Q0, B2CZC8, C1ID52, O95180, P05177, P08684, P10632, P10635, P11712, P20813, P22460, P31424, P33261, P41594, P54289, P63252, Q01959, Q08289, Q12809, Q13936, Q14524, Q6GRK0, Q9NS61, Q9UK17, Q9UL51, Q9Y3Q4, and S5RV20
DOI: 10.7270/q2dr2xxz
title: BindingDB Entry 50000655: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2B, Adenosine receptor A1/Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, Histamine H2 receptor, Kappa-type opioid receptor, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Sigma-1 receptor, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot A0A024R6T9, A0A024R9I2, P08912, P08913, P18825, P23975, P25021, P31645, P41145, P41595, Q4W594, and Q60492
DOI: 10.7270/q290266b
title: BindingDB Entry 50000656: Design and Synthesis of Chlorinated and Fluorinated 7-Azaindenoisoquinolines as Potent Cytotoxic Anticancer Agents That Inhibit Topoisomerase I.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 1 and Tyrosyl-DNA phosphodiesterase 2, Uniprot A0A024R6L5, A0A384MDM5, O95551, and Q9NUW8
DOI: 10.7270/q2571ff5
title: BindingDB Entry 50000657: Scaffold Hopping and Optimization of Maleimide Based Porcupine Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2D6, Cytochrome P450 3A, Dual specificity mitogen-activated protein kinase kinase 5, Melanin-concentrating hormone receptor 2/HERG, Protein-serine O-palmitoleoyltransferase porcupine, and Serine/threonine-protein kinase RIO2, Uniprot A0A024R5Y2, A0A090N8Q0, C1ID52, P05177, P08684, P10635, Q12809, Q13163, Q6GRK0, Q9BVS4, and Q9H237
DOI: 10.7270/q21g0pqf
title: BindingDB Entry 50000661: Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of Na

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 3A, Sodium channel alpha subunits; brain (Types I, II, III), Sodium channel protein type 10 subunit alpha, Sodium channel protein type 2 alpha subunit, Sodium channel protein type 5 subunit alpha, Sodium channel protein type 8 subunit alpha, Sodium channel protein type 9 subunit alpha, Sodium channel protein type IX alpha subunit, and Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4), Uniprot O08562, P08684, P11712, P35498, P35499, Q14524, Q15858, Q6GRK0, Q99250, Q9NY46, Q9UQD0, Q9Y5Y9, and S5RV20
DOI: 10.7270/q2ws8wpc
title: BindingDB Entry 50000662: Synthetic Modification within the"RPRL" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation.

description: Small molecule binding data for protein Apelin receptor, Uniprot Q9JHG3
DOI: 10.7270/q2s184zb
title: BindingDB Entry 50000663: Identification of Peptidic Antagonists of Vascular Endothelial Growth Factor Receptor 1 by Scanning the Binding Epitopes of Its Ligands.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 1, Uniprot L7RSL3 and P17948
DOI: 10.7270/q2n87d71
title: BindingDB Entry 50000664: Discovery of a Benzamide Derivative That Protects Pancreaticβ-Cells against Endoplasmic Reticulum Stress.

description: Small molecule binding data for protein Eukaryotic translation initiation factor 2-alpha kinase 3, Uniprot Q9Z1Z1
DOI: 10.7270/q2hh6nh9
title: BindingDB Entry 50000665: Structure-Based Approach To Identify 5-[4-Hydroxyphenyl]pyrrole-2-carbonitrile Derivatives as Potent and Tissue Selective Androgen Receptor Modulators.

description: Small molecule binding data for protein Androgen receptor/Baculoviral IAP repeat-containing protein 2 and Melanin-concentrating hormone receptor 2/HERG, Uniprot A0A090N8Q0, P10275, and Q12809
DOI: 10.7270/q2cr5wsk
title: BindingDB Entry 50000667: Development of a Potent Inhibitor of the Plasmodium Proteasome with Reduced Mammalian Toxicity.

description: Small molecule binding data for protein Proteasome subunit beta type-1/beta type-5, Uniprot P28074
DOI: 10.7270/q20k2c17
title: BindingDB Entry 50000672: Amidoalkylindoles as Potent and Selective Cannabinoid Type 2 Receptor Agonists with in Vivo Efficacy in a Mouse Model of Multiple Sclerosis.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot A0A024RAH7, P20272, P21554, P34972, and S5TLS4
DOI: 10.7270/q280552z
title: BindingDB Entry 50000668: Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure.

description: Small molecule binding data for protein Beta-adrenergic receptor kinase 2, G protein-coupled receptor kinase 5, G protein-coupled receptor kinase 6, G protein-coupled receptor kinase 7, G-protein coupled receptor kinase 2, PKC alpha and beta-2, Rho-associated protein kinase 2, and Rhodopsin kinase, Uniprot A0A024R1D8, A0A0S2Z392, A0A2P9DU05, L7RSM7, O75116, P17252, P25098, P34947, P35626, P43250, Q15835, and Q8WTQ7
DOI: 10.7270/q24b33rj
title: BindingDB Entry 50000671: Discovery and Kinetic Profiling of 7-Aryl-1,2,4-triazolo[4,3-a]pyridines: Positive Allosteric Modulators of the Metabotropic Glutamate Receptor 2.

description: Small molecule binding data for protein Metabotropic glutamate receptor 2, Uniprot Q14416
DOI: 10.7270/q2vt1vk0
title: BindingDB Entry 50000673: Opioid Receptor Modulators with a Cinnamyl Group.

description: Small molecule binding data for protein Kappa-type opioid receptor and Mu-type opioid receptor, Uniprot P35372 and P41145
DOI: 10.7270/q2m90c4n
title: BindingDB Entry 50000676: Inhibitory Kappa B Kinaseα (IKKα) Inhibitors That Recapitulate Their Selectivity in Cells against Isoform-Related Biomarkers.

description: Small molecule binding data for protein Inhibitor of nuclear factor kappa-B kinase subunit alpha and Inhibitor of nuclear factor kappa-B kinase subunit beta, Uniprot O14920 and O15111
DOI: 10.7270/q2r213vz
title: BindingDB Entry 50000674: Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors.

description: Small molecule binding data for protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Uniprot Q13822 and Q64610
DOI: 10.7270/q2gh9mdc
title: BindingDB Entry 50000677: Side-Chain Modified Ergosterol and Stigmasterol Derivatives as Liver X Receptor Agonists.

description: Small molecule binding data for protein Oxysterols receptor LXR-alpha and Oxysterols receptor LXR-beta, Uniprot F1D8N1, P55055, and Q13133
DOI: 10.7270/q2736tbh
title: BindingDB Entry 50000683: Nonacidic Farnesoid X Receptor Modulators.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2br8vn6
title: BindingDB Entry 50000682: Discovery of Potent Orally Active Protease-Activated Receptor 1 (PAR1) Antagonists Based on Andrographolide.

description: Small molecule binding data for protein Proteinase-activated receptor 1, Uniprot A0A024RAP7 and P25116
DOI: 10.7270/q23b62kq
title: BindingDB Entry 50000684: Coumarin versus Chromone Monoamine Oxidase B Inhibitors: Quo Vadis?

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A and Amine oxidase [flavin-containing] B, Uniprot P21397, P27338, and Q53YE7
DOI: 10.7270/q2tt4td5
title: BindingDB Entry 50000686: Discovery of an Orally Bioavailable, Brain-Penetrating, in Vivo Active Phosphodiesterase 2A Inhibitor Lead Series for the Treatment of Cognitive Disorders.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A, Homo sapiens phosphodiesterase 2A (PDE2A), Phosphodiesterase 11A, Phosphodiesterase 8, Rod cGMP-specific 3',5'-cyclic phosphodiesterase alpha/beta, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, and cAMP-specific 3',5'-cyclic phosphodiesterase 7B, Uniprot A0A0S2Z4T6, A0A140VJR0, A0A1B1UZR0, O00408, O60658, O76074, O76083, P16499, P35913, P54750, Q08499, Q14432, Q9HCR9, Q9NP56, and Q9Y233
DOI: 10.7270/q2zk5k4w
title: BindingDB Entry 50000685: Neuroactive Steroids. 2. 3α-Hydroxy-3β-methyl-21-(4-cyano-1H-pyrazol-1'-yl)-19-nor-5β-pregnan-20-one (SAGE-217): A Clinical Next Generation Neuroactive Steroid Positive Allosteric Modulator of the (γ-Aminobutyric Acid)

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, GABA receptor alpha-1/beta-2/gamma-2 subunit, Gamma-aminobutyric acid receptor subunit alpha-4/beta3/delta, Inward rectifier potassium channel 2, Kv channel-interacting protein 2/Potassium voltage-gated channel subfamily D member 3, Melanin-concentrating hormone receptor 2/HERG, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2, Sodium channel protein type 5 subunit alpha, Voltage-gated calcium channel, Voltage-gated potassium channel, and Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1, Uniprot A0A090N8Q0, C1ID52, C7S316, O14764, P05177, P08684, P10635, P11712, P14867, P15382, P18507, P20813, P22460, P28472, P33261, P47870, P48169, P51787, P63252, Q12809, Q13936, Q14524, Q6GRK0, Q9NS61, Q9UK17, Q9UL51, S5RV20, and X5D7F5
DOI: 10.7270/q2k939zd
title: BindingDB Entry 50000688: Novel 3-(1,2,3,6-Tetrahydropyridin-4-yl)-1H-indole-Based Multifunctional Ligands with Antipsychotic-Like, Mood-Modulating, and Procognitive Activity.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, D(2) dopamine receptor, Muscarinic acetylcholine receptor M1, and Sodium-dependent serotonin transporter, Uniprot A0A024R3C5, P08908, P11229, P14416, P31645, P31652, P34969, P50406, Q53XZ3, and Q5ZGX3
DOI: 10.7270/q2q242p4
title: BindingDB Entry 50000687: Discovery of Novel and Highly Selective Inhibitors of Calpain for the Treatment of Alzheimer's Disease: 2-(3-Phenyl-1H-pyrazol-1-yl)-nicotinamides.

description: Small molecule binding data for protein Calpain 1, Calpain1/2, Cathepsin (B and K), Cathepsin K, and Cathepsin S, Uniprot A0A024R374, P07384, P07858, P25774, P43235, and P97571
DOI: 10.7270/q2fj2k73
title: BindingDB Entry 50000689: Development of Novel Peptide-Based Michael Acceptors Targeting Rhodesain and Falcipain-2 for the Treatment of Neglected Tropical Diseases (NTDs).

description: Small molecule binding data for protein Cathepsin (L and K), Falcipain 2, and Rhodesain, Uniprot A0A024R276, P07711, Q95PM0, and Q9N6S8
DOI: 10.7270/q2639s64
title: BindingDB Entry 50000691: Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, 5-hydroxytryptamine receptor 2C, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, Delta-type opioid receptor, Histamine H1 receptor, Histamine H2 receptor, Histamine H4 receptor, Histamine receptor (H3 and H4), Kappa-type opioid receptor, Mu-type opioid receptor, Nitric oxide synthase, brain, Nitric oxide synthase, endothelial, Nitric oxide synthase, inducible, Nitric-oxide synthase, brain, Nitric-oxide synthase, endothelial, Nociceptin receptor, Serotonin (5-HT) receptor, and Serotonin 3 (5-HT3) receptor, Uniprot A0A2D3FAF9, A4D2N2, B3VK56, P08908, P25021, P28221, P28222, P28223, P28335, P28566, P29473, P29474, P29475, P29476, P29477, P30939, P34969, P35367, P35372, P41143, P41145, P41146, P41595, P46098, P47898, P50406, Q13639, Q5ZGX3, Q9H3N8, Q9Y5N1, and X5D7I5
DOI: 10.7270/q29w0hxp
title: BindingDB Entry 50000690: Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.

description: Small molecule binding data for protein Serine/threonine-protein kinase WNK1, Uniprot Q9H4A3
DOI: 10.7270/q22b91gs
title: BindingDB Entry 50000692: Dual MET and SMO Negative Modulators Overcome Resistance to EGFR Inhibitors in Human Nonsmall Cell Lung Cancer.

description: Small molecule binding data for protein Hepatocyte growth factor receptor and Smoothened homolog, Uniprot A0A024R759, P08581, and Q99835
DOI: 10.7270/q2xk8j0h
title: BindingDB Entry 50000693: Novel Diarylurea Based Allosteric Modulators of the Cannabinoid CB1 Receptor: Evaluation of Importance of 6-Pyrrolidinylpyridinyl Substitution.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot A0A024RAH7, P20272, P21554, P34972, P47936, and S5TLS4
DOI: 10.7270/q2st7s8s
title: BindingDB Entry 50000694: Effect of Nitrogen Atom Substitution in A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, P30542, and X5DNB4
DOI: 10.7270/q2p271jr
title: BindingDB Entry 50000695: Discovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A, Homo sapiens phosphodiesterase 2A (PDE2A), Phosphodiesterase 11A, Phosphodiesterase 8, Rod cGMP-specific 3',5'-cyclic phosphodiesterase alpha/beta, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, and cAMP-specific 3',5'-cyclic phosphodiesterase 7B, Uniprot A0A0S2Z4T6, A0A140VJR0, A0A1B1UZR0, O00408, O60658, O76074, O76083, P16499, P35913, P54750, Q08499, Q14432, Q9HCR9, Q9NP56, and Q9Y233
DOI: 10.7270/q2j968t1
title: BindingDB Entry 50000696: Synthesis and Evaluation of Asymmetric Acyclic Nucleoside Bisphosphonates as Inhibitors of Plasmodium falciparum and Human Hypoxanthine-Guanine-(Xanthine) Phosphoribosyltransferase.

description: Small molecule binding data for protein Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), Uniprot A0A140VJL3 and P00492
DOI: 10.7270/q2dn47h1
title: BindingDB Entry 50000697: Structure-Activity Relationship Studies on a Macrocyclic Agouti-Related Protein (AGRP) Scaffold Reveal Agouti Signaling Protein (ASP) Residue Substitutions Maintain Melanocortin-4 Receptor Antagonist Potency and Result in Inverse Agonist Pharmacology at the Melanocortin-5 Receptor.

description: Small molecule binding data for protein Melanocortin receptor 1, Melanocortin receptor 3, Melanocortin receptor 4, and Melanocortin receptor 5, Uniprot A0A0B6VTJ4, P33033, P41149, P56450, Q01727, and Q544G7
DOI: 10.7270/q28w3gs9
title: BindingDB Entry 50000700: Structure-Guided Development of Covalent and Mutant-Selective Pyrazolopyrimidines to Target T790M Drug Resistance in Epidermal Growth Factor Receptor.

description: Small molecule binding data for protein MER intracellular domain/EGFR extracellular domain chimera, Uniprot P00533
DOI: 10.7270/q2542r29
title: BindingDB Entry 50000701: Synthesis and evaluation of new benzodioxole-based dithiocarbamate derivatives as potential anticancer agents and hCA-I and hCA-II inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot P00915, P00918, V9HW21, and V9HWE3
DOI: 10.7270/q21c20bz
title: BindingDB Entry 50000702: The replacement of the 2-methoxy substituent of N-((6,6-diphenyl-1,4-dioxan-2-yl)methyl)-2-(2-methoxyphenoxy)ethan-1-amine improves the selectivity for 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Adrenergic receptor alpha, Alpha adrenergic receptor (1a and 1d), Alpha-1A adrenergic receptor, D(2) dopamine receptor, D(3) dopamine receptor, and D(4) dopamine receptor, Uniprot A0A024R3C5, B0ZBE0, P08908, P14416, P21917, P25100, P35348, P35368, P35462, and Q5ZGX3