cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2c53p79
title: BindingDB Entry 50000311: Causes and Significance of Increased Compound Potency in Cellular or Physiological Contexts.

description: Small molecule binding data for protein Cathepsin D and Diacylglycerol O-acyltransferase 2, Uniprot P07339, Q96PD7, and V9HWI3
DOI: 10.7270/q23n25s7
title: BindingDB Entry 50000313: Discovery of 3,5-Diphenyl-4-methyl-1,3-oxazolidin-2-ones as Novel, Potent, and Orally AvailableΔ-5 Desaturase (D5D) Inhibitors.

description: Small molecule binding data for protein Fatty acid desaturase 1, Uniprot O60427 and Q920R3
DOI: 10.7270/q2v69n0q
title: BindingDB Entry 50000315: Hit-to-Lead Optimization and Discovery of 5-((5-([1,1'-Biphenyl]-4-yl)-6-chloro-1H-benzo[d]imidazol-2-yl)oxy)-2-methylbenzoic Acid (MK-3903): A Novel Class of Benzimidazole-Based Activators of AMP-Activated Protein Kinase.

description: Small molecule binding data for protein AMPK alpha1/beta1/gamma2, AMPK alpha1/beta1/gamma3, AMPK alpha1/beta2/gamma1, AMPK alpha2/beta1/gamma1, AMPK alpha2/beta2/gamma3, Cytochrome P450 2D6, Cytochrome P450 3A, MAP kinase-activated protein kinase 5, Nuclear receptor subfamily 1 group I member 2, and Transcription factor Dp-2, Uniprot A0A024R125, A0A024RBN1, A0A090N8Q6, C1ID52, O43741, O75469, P08684, P10635, P54619, P54646, Q13131, Q14188, Q6GRK0, Q8IW41, Q9UGI9, Q9UGJ0, and Q9Y478
DOI: 10.7270/q2zw1pbd
title: BindingDB Entry 50000314: Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions.

description: Small molecule binding data for protein 14-3-3 protein zeta/delta, Uniprot D0PNI1 and P63104
DOI: 10.7270/q2fx7cwt
title: BindingDB Entry 50000319: Development of Potent, Protease-Resistant Agonists of the Parathyroid Hormone Receptor with Broadβ Residue Distribution.

description: Small molecule binding data for protein Parathyroid hormone receptor, Uniprot A1LPH3 and Q03431
DOI: 10.7270/q2kp84k3
title: BindingDB Entry 50000318: Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX).

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrases; II & IX, and Matrix metalloproteinase 12, Uniprot A0A0S2Z3D0, O43570, P39900, and Q16790
DOI: 10.7270/q2qf8w9f
title: BindingDB Entry 50000316: Noncovalent Protein Arginine Deiminase (PAD) Inhibitors Are Efficacious in Animal Models of Multiple Sclerosis.

description: Small molecule binding data for protein Protein-arginine deiminase type-1, Protein-arginine deiminase type-2, and protein-arginine deiminase type-4, Uniprot Q08642, Q9ULC6, and Q9UM07
DOI: 10.7270/q2b56n5t
title: BindingDB Entry 50000322: Pharmacophore Hybridization To Discover Novel Topoisomerase II Poisons with Promising Antiproliferative Activity.

description: Small molecule binding data for protein DNA topoisomerase II, Uniprot P11388
DOI: 10.7270/q22r3v26
title: BindingDB Entry 50000324: Protac-Induced Protein Degradation in Drug Discovery: Breaking the Rules or Just Making New Ones?

description: Small molecule binding data for protein Von Hippel-Lindau disease tumor suppressor protein (VBC), Uniprot A0A024R2F2 and P40337
DOI: 10.7270/q26d5wf3
title: BindingDB Entry 50000323: Identification of 4-Phenoxyquinoline Based Inhibitors for L1196M Mutant of Anaplastic Lymphoma Kinase by Structure-Based Design.

description: Small molecule binding data for protein ALK tyrosine kinase receptor and Potassium voltage-gated channel subfamily H member 2, Uniprot A0A090N8Q0, Q12809, and Q9UM73
DOI: 10.7270/q2pg1v5m
title: BindingDB Entry 50000330: Highly Selective and Potentα4β2 nAChR Antagonist Inhibits Nicotine Self-Administration and Reinstatement in Rats.

description: Small molecule binding data for protein NIcotinic acetylcholine receptor alpha-3/beta-4/alpha-5, Neuronal acetylcholine receptor Alpha-3/Beta-4, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, and Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit, Uniprot P04757, P09483, P12390, P12392, and P20420
DOI: 10.7270/q2t72kwx
title: BindingDB Entry 50000329: Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88

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, Cytochrome P450 3A, Dual specificity protein kinase CLK1/CLK4, Dual specificity protein kinase CLK2, Dual specificity protein kinase CLK3, Interleukin-1 receptor-associated kinase 1, Interleukin-1 receptor-associated kinase 3, Interleukin-1 receptor-associated kinase 4, Interleukin-1 receptor-associated kinase-like 2, Serine/threonine-protein kinase haspin, Sodium channel protein type 5 subunit alpha, Voltage-gated potassium channel, and Voltage-gated potassium channel beta subunit Mink, Uniprot A8K7I0, C1ID52, C7S316, O43187, P05177, P08684, P10635, P11712, P15382, P33261, P40989, P49759, P49760, P49761, P51617, Q14524, Q69FE3, Q6GRK0, Q8TF76, Q9HAZ1, Q9NWZ3, Q9UK17, Q9Y616, and S5RV20
DOI: 10.7270/q2z03bk6
title: BindingDB Entry 50000325: Discovery of N-(3-Carbamoyl-5,5,7,7-tetramethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-lH-pyrazole-5-carboxamide (GLPG1837), a Novel Potentiator Which Can Open Class III Mutant Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Channels to a High Extent.

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, and Cytochrome P450 3A, Uniprot C1ID52, P05177, P08684, P10635, P11712, P33261, P40989, Q6GRK0, and S5RV20
DOI: 10.7270/q2959m00
title: BindingDB Entry 50000334: Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.

description: Small molecule binding data for protein LDL-associated phospholipase A2, Uniprot Q13093
DOI: 10.7270/q2dz0bqj
title: BindingDB Entry 50000333: Structure-Based Design and Biological Characterization of Selective Histone Deacetylase 8 (HDAC8) Inhibitors with Anti-Neuroblastoma Activity.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 6, and Histone deacetylase 8, Uniprot A0A024QZ26, Q13547, Q6IT96, Q9BY41, and Q9UBN7
DOI: 10.7270/q2jq13f8
title: BindingDB Entry 50000331: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Uniprot P40989
DOI: 10.7270/q21r6sxd
title: BindingDB Entry 50000338: Augmentation of Anticancer Drug Efficacy in Murine Hepatocellular Carcinoma Cells by a Peripherally Acting Competitive N-Methyl-d-aspartate (NMDA) Receptor Antagonist.

description: Small molecule binding data for protein Glutamate [NMDA] receptor subunit epsilon 1/zeta 1, Glutamate [NMDA] receptor subunit epsilon 2/zeta 1, Glutamate [NMDA] receptor subunit epsilon 3/zeta 1, Glutamate receptor ionotropic, kainate, Ionotropic glutamate receptor NMDA 1/2D, and Ionotropic glutamate receptor kainate 2/5, Uniprot P22756, P35439, P42260, P42264, Q00959, Q00960, Q00961, and Q62645
DOI: 10.7270/q25h7jn4
title: BindingDB Entry 50000337: Discovery and Optimization of Thiazolidinyl and Pyrrolidinyl Derivatives as Inhaled PDE4 Inhibitors for Respiratory Diseases.

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, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, and cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot A0A0S2Z4T6, A0A1B1UZR0, O00408, O60658, O76074, O76083, P54750, Q07343, Q13946, Q14432, Q9HCR9, Q9Y233, and X5DNX5
DOI: 10.7270/q2x069g8
title: BindingDB Entry 50000339: Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquin

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Enhancer of zeste homolog 1 (EZH1), and Histone-lysine N-methyltransferase EZH2, Uniprot C1ID52, P05177, P08684, P10632, P10635, P11712, P33261, P40989, Q15910, Q6GRK0, Q92800, and S5RV20
DOI: 10.7270/q2hq429w
title: BindingDB Entry 50000344: Discovery of Novel Selective Acetyl-CoA Carboxylase (ACC) 1 Inhibitors.

description: Small molecule binding data for protein Acetyl-CoA carboxylase and Acetyl-CoA carboxylase 1 (ACC1), Uniprot O00763 and Q13085
DOI: 10.7270/q2ng4t2p
title: BindingDB Entry 50000343: Structure-Activity Relationship Studies on a Series of 3α-[Bis(4-fluorophenyl)methoxy]tropanes and 3α-[Bis(4-fluorophenyl)methylamino]tropanes As Novel Atypical Dopamine Transporter (DAT) Inhibitors for the Treatment of Cocaine Use Disorders.

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2, Sodium-dependent dopamine transporter, and Sodium-dependent serotonin transporter, Uniprot A0A090N8Q0, P23977, P31652, Q01959, and Q12809
DOI: 10.7270/q2s75jrj
title: BindingDB Entry 50000342: The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity.

description: Small molecule binding data for protein Acetylcholinesterase, Butyrylcholinesterase, and Cholinesterases, Uniprot P06276, P21836, P22303, Q03311, and Q543Z1
DOI: 10.7270/q2cz39k5
title: BindingDB Entry 50000345: Discovery of LY3104607: A Potent and Selective G Protein-Coupled Receptor 40 (GPR40) Agonist with Optimized Pharmacokinetic Properties to Support Once Daily Oral Treatment in Patients with Type 2 Diabetes Mellitus.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Free fatty acid receptor 1, and Melanocortin receptor 4, Uniprot C1ID52, O14842, P08684, P10635, P11712, P70596, Q6GRK0, and S5RV20
DOI: 10.7270/q24j0hk6
title: BindingDB Entry 50000349: Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).

description: Small molecule binding data for protein Protein arginine N-methyltransferase 3, Uniprot O60678
DOI: 10.7270/q289189x
title: BindingDB Entry 50000348: Novel Terminal Bipheny-Based Diapophytoene Desaturases (CrtN) Inhibitors as Anti-MRSA/VISR/LRSA Agents with Reduced hERG Activity.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, 4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming), Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Dehydrosqualene desaturase, and Dehydrosqualene synthase, Uniprot A0A0Z4JC62, A9JQL9, C1ID52, O07855, P05177, P08684, P10632, P10635, P11712, P20813, P33261, P40989, Q6GRK0, Q8NUQ6, and S5RV20
DOI: 10.7270/q20r9rvx
title: BindingDB Entry 50000350: Comprehensive Synthesis of Amino Acid-Derived Thiazole Peptidomimetic Analogues to Understand the Enigmatic Drug/Substrate-Binding Site of P-Glycoprotein.

description: Small molecule binding data for protein Cytochrome P450 3A and Multidrug resistance protein 1/Multidrug resistance associated protein 1, Uniprot A4D1D2, P08183, P08684, and Q6GRK0
DOI: 10.7270/q2w098cb
title: BindingDB Entry 50000351: Structure-Guided Synthesis and Mechanistic Studies Reveal Sweetspots on Naphthyl Salicyl Hydrazone Scaffold as Non-Nucleosidic Competitive, Reversible Inhibitors of Human Ribonucleotide Reductase.

description: Small molecule binding data for protein Ribonucleoside-diphosphate reductase large subunit and Ribonucleoside-diphosphate reductase subunit M2, Uniprot P23921 and P31350
DOI: 10.7270/q2r78hnm
title: BindingDB Entry 50000352: Structure-Based Design, Synthesis, and In Vivo Antinociceptive Effects of Selective 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/q2gq716z
title: BindingDB Entry 50000356: In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-β-lactamase Inhibitors.

description: Small molecule binding data for protein 5' exonuclease Apollo, Bacterial beta-lactamase TEM, Beta-lactamase OXA-10, and DNA cross-link repair 1A protein, Uniprot P14489, P62593, Q6PJP8, Q6QJ55, Q6SJ61, and Q9H816
DOI: 10.7270/q2mg7rxw
title: BindingDB Entry 50000355: "Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, O43570, P00915, P00918, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q2c24zv1
title: BindingDB Entry 50000358: Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.

description: Small molecule binding data for protein Envelope glycoprotein, Uniprot A0A089X075 and Q05320
DOI: 10.7270/q23j3gdc
title: BindingDB Entry 50000360: Neutral Porphyrin Derivative Exerts Anticancer Activity by Targeting Cellular Topoisomerase I (Top1) and Promotes Apoptotic Cell Death without Stabilizing Top1-DNA Cleavage Complexes.

description: Small molecule binding data for protein DNA topoisomerase I, Uniprot P11387
DOI: 10.7270/q2794743
title: BindingDB Entry 50000359: Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity.

description: Small molecule binding data for protein Galectin-1 and Galectin-3, Uniprot A0A024R693, A0A384MR27, P09382, and P17931
DOI: 10.7270/q2zs2zz4
title: BindingDB Entry 50000361: Identification of a Potent, Highly Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor Clinical Candidate.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase, Homo sapiens phosphodiesterase 2A (PDE2A), and Phosphodiesterase 2A, Uniprot O00408, O76074, and Q01062
DOI: 10.7270/q2v1277h
title: BindingDB Entry 50000362: Identification of Morpholino-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-ones as Nonsteroidal Mineralocorticoid Antagonists.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Androgen Receptor, Baculoviral IAP repeat-containing protein 2/Estrogen receptor, Glucocorticoid receptor, Mineralocorticoid receptor, Progesterone receptor, and mineralocorticoid, Uniprot B0ZBF6, F1D8N4, G4XH65, P03372, P04150, P06401, P08235, P10275, P22199, and P40989
DOI: 10.7270/q2q81ggb
title: BindingDB Entry 50000363: (N-Hydroxycarbonylbenylamino)quinolines as Selective Histone Deacetylase 6 Inhibitors Suppress Growth of Multiple Myeloma in Vitro and in Vivo.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 10, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, and NAD-dependent deacetylase sirtuin 1, Uniprot A0A024QZ26, A0A024QZQ1, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q96EB6, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q2ft8pf2
title: BindingDB Entry 50000365: Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).

description: Small molecule binding data for protein Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-lysine methyltransferase SMYD2, Nicotinamide N-methyltransferase (NNMT), Pre-miRNA 5'-monophosphate methyltransferase, and Protein arginine methyltransferase 7 (PRMT7), Uniprot A0A024R726, P40261, Q6FH49, Q7Z5W3, Q8TEK3, Q9NRG4, and Q9NVM4
DOI: 10.7270/q2kh0qrm
title: BindingDB Entry 50000364: Development of Stem-Cell-Mobilizing Agents Targeting CXCR4 Receptor for Peripheral Blood Stem Cell Transplantation and Beyond.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, and Cytochrome P450 3A, Uniprot C1ID52, P05177, P05181, P08684, P10635, P11712, P33261, P61073, Q6GRK0, and S5RV20
DOI: 10.7270/q2b27xqn
title: BindingDB Entry 50000366: X-ray Structures of Target-Ligand Complexes Containing Compounds with Assay Interference Potential.

description: Small molecule binding data for protein 14-3-3 protein zeta/delta, BCoR-BCL6, Cys-loop ligand-gated ion channel, Induced myeloid leukemia cell differentiation protein Mcl-1, Metallo-beta-lactamase VIM-2 (VIM-2), Poly(ADP-ribose) glycohydrolase, Polyketide synthase Pks13, and Prion protein, Uniprot D0PNI1, I6L8L7, I6X8D2, P04925, P0C7B7, P41182, P63104, Q07820, Q3Y6Q3, and Q4FJQ7
DOI: 10.7270/q269760q
title: BindingDB Entry 50000367: In Vitro Pharmacokinetic Optimizations of AM2-S31N Channel Blockers Led to the Discovery of Slow-Binding Inhibitors with Potent Antiviral Activity against Drug-Resistant Influenza A Viruses.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot C1ID52, P05177, P08684, P10635, P11712, P33261, Q6GRK0, and S5RV20
DOI: 10.7270/q22j6f80
title: BindingDB Entry 50000368: α-Amino-β-carboxymuconate-ε-semialdehyde Decarboxylase (ACMSD) Inhibitors as Novel Modulators of De Novo Nicotinamide Adenine Dinucleotide (NAD

description: Small molecule binding data for protein 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, Cytochrome P450 2C19, Cytochrome P450 2D6, Cytochrome P450 3A, Cytochrome P450 3A1, Kynurenine 3-monooxygenase, and Kynurenine/alpha-aminoadipate aminotransferase, Uniprot C1ID52, O88867, P04800, P08684, P10635, P33261, Q64602, Q6GRK0, and Q8TDX5
DOI: 10.7270/q2xs5xs9
title: BindingDB Entry 50000370: 3-((R)-4-(((R)-6-(2-Bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholin-2-yl)propanoic Acid (HEC72702), a Novel Hepatitis B Virus Capsid Inhibitor Based on Clinical Candidate GLS4.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot C1ID52, P05177, P08684, P10635, P11712, P20813, P33261, P40989, Q6GRK0, and S5RV20
DOI: 10.7270/q2p84f9h
title: BindingDB Entry 50000372: Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.

description: Small molecule binding data for protein CREB-binding protein, Uniprot Q92793
DOI: 10.7270/q2t15617
title: BindingDB Entry 50000371: New Steroidal 4-Aminoquinolines Antagonize Botulinum Neurotoxin Serotype A in Mouse Embryonic Stem Cell Derived Motor Neurons in Postintoxication Model.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Cytochrome P450 2C19, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot C1ID52, P08684, P0DPI0, P10635, P33261, and Q6GRK0
DOI: 10.7270/q2jm2d2d
title: BindingDB Entry 50000374: A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.

description: Small molecule binding data for protein Bile salt export pump, Canalicular multispecific organic anion transporter 1, Canalicular multispecific organic anion transporter 2, and Multidrug resistance-associated protein 4, Uniprot O15438, O15439, O95342, and Q92887
DOI: 10.7270/q2930wm8
title: BindingDB Entry 50000381: Modulators of Sphingosine-1-phosphate Pathway Biology: Recent Advances of Sphingosine-1-phosphate Receptor 1 (S1P

description: Small molecule binding data for protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Sphingosine 1-phosphate receptor 1, and Sphingosine 1-phosphate receptor 3, Uniprot P21453, Q13822, and Q99500
DOI: 10.7270/q2dv1nbp
title: BindingDB Entry 50000377: The Necessary Nitrogen Atom: A Versatile High-Impact Design Element for Multiparameter Optimization.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q25b04xc
title: BindingDB Entry 50000383: Evaluation of selenide, diselenide and selenoheterocycle derivatives as carbonic anhydrase I, II, IV, VII and IX inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 4, and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, P00915, P00918, P22748, P43166, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q21j9d6h
title: BindingDB Entry 50000384: Design and synthesis of selective CDK8/19 dual inhibitors: Discovery of 4,5-dihydrothieno[3',4':3,4]benzo[1,2-d]isothiazole derivatives.

description: Small molecule binding data for protein Cyclin-C, Cyclin-dependent kinase 19, Cyclin-dependent kinase 8, Cyclin-dependent kinase 9, Dual specificity tyrosine-phosphorylation-regulated kinase 1B, Ephrin type-A receptor 3 (EPHA3), Homeodomain-interacting protein kinase 1, SPS1/STE20-related protein kinase YSK4, and Serine/threonine-protein kinase haspin, Uniprot A0A024R0I0, A0A024R880, A0A140VJJ0, P24863, P29320, P49336, P50750, Q56UN5, Q7Z4L3, Q86Z02, Q8TF76, Q9BWU1, and Q9Y463
DOI: 10.7270/q2ws8wnx
title: BindingDB Entry 50000385: Dual-tail approach to discovery of novel carbonic anhydrase IX inhibitors by simultaneously matching the hydrophobic and hydrophilic halves of the active site.

description: Small molecule binding data for protein Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, P00918, Q16790, and V9HW21
DOI: 10.7270/q2s184xw
title: BindingDB Entry 50000387: Discovery of 2-substituted 1H-benzo[d]immidazole-4-carboxamide derivatives as novel poly(ADP-ribose)polymerase-1 inhibitors with in vivo anti-tumor activity.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1 and Poly [ADP-ribose] polymerase 2, Uniprot A0A024R3T8, P09874, and Q9UGN5
DOI: 10.7270/q2nc63mw
title: BindingDB Entry 50000388: Design, synthesis and biological evaluation of novel coumarin-based benzamides as potent histone deacetylase inhibitors and anticancer agents.

description: Small molecule binding data for protein Histone deacetylase 1, Uniprot Q13547 and Q6IT96
DOI: 10.7270/q2hm5bw5
title: BindingDB Entry 50000389: Inhibitors of protein arginine deiminases and their efficacy in animal models of multiple sclerosis.

description: Small molecule binding data for protein Protein-arginine deiminase type-1, Protein-arginine deiminase type-2, and protein-arginine deiminase type-4, Uniprot Q08642, Q9ULC6, and Q9UM07
DOI: 10.7270/q2cv4m5v
title: BindingDB Entry 50000390: Thiazolidine derivatives as potent and selective inhibitors of the PIM kinase family.

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Serine/threonine-protein kinase pim-1, and Serine/threonine-protein kinase pim-3, Uniprot A0A024RD25, P11309, P42336, and Q86V86
DOI: 10.7270/q24b33q3
title: BindingDB Entry 50000392: Tricyclic 4,4-dimethyl-3,4-dihydrochromeno[3,4-d]imidazole derivatives as microsomal prostaglandin E

description: Small molecule binding data for protein Cyclooxygenase, Prostaglandin E synthase, and Prostaglandin E synthase/G/H synthase 2, Uniprot O14684, P23219, and P35354