cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2cc128m
title: BindingDB Entry 50044707: Multiple fragment docking and linking in primary and secondary pockets of dopamine receptors.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q2cj8gc9
title: BindingDB Entry 50047233: Inhibition of Histone Demethylases Offers a Novel and Promising Approach for the Treatment of Cancer and Other Diseases.

description: Small molecule binding data for protein Lysine-specific demethylase 2B (KDM2B), Lysine-specific demethylase 4C (KDM4C), Lysine-specific demethylase 5B (KDM5Flag-5B-FL), Lysine-specific demethylase 6A (KDM6A), and Lysine-specific demethylase 7B (KDM7B), Uniprot O15550, Q8NHM5, Q9H3R0, Q9UGL1, and Q9UPP1
DOI: 10.7270/q2dj5h8j
title: BindingDB Entry 50045233: Discovery of 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1H)-pyridone (JNJ-40411813): a novel positive allosteric modulator of the metabotropic glutamate 2 receptor.

description: Small molecule binding data for protein Metabotropic glutamate receptor 2 (mGluR2), Uniprot Q14416
DOI: 10.7270/q2dn46tn
title: BindingDB Entry 50046192: Structure-Based Design of Macrocyclic Coagulation Factor VIIa Inhibitors.

description: Small molecule binding data for protein Coagulation factor III/Factor VIIa (fVIIa), Coagulation factor IX and X, Coagulation factor X/antithrombin III, Kallikrein-1 (KLK1), Plasma kallikrein (KLKB1), Prothrombin, Trypsin, and Vitamin K-dependent protein C, Uniprot P00734, P00740, P00742, P03952, P04070, P06870, P07477, P07478, P08709, P13726, and P35030
DOI: 10.7270/q2f76f7v
title: BindingDB Entry 50045676: Substituted pyrrolidin-2-ones: Centrally acting orexin receptor antagonists promoting sleep. Part 2.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Orexin receptor 1, and Orexin receptor 2, Uniprot O43613, O43614, P08684, P10635, P11712, and S4X0W3
DOI: 10.7270/q2g162mg
title: BindingDB Entry 50046701: Investigation of new 2-aryl substituted Benzothiopyrano[4,3-d]pyrimidines as kinase inhibitors targeting vascular endothelial growth factor receptor 2.

description: Small molecule binding data for protein AKT/p21CIP1, C-RAF, Cyclin-dependent kinase 1, Dual specificity mitogen-activated protein kinase kinase 1, Epidermal growth factor receptor, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Mitogen-activated protein kinase 3, Platelet-derived growth factor receptor beta, Rho-associated protein kinase, Serine/threonine-protein kinase Aurora, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot O14965, P00533, P04049, P06493, P09619, P12931, P27361, P31749, P35968, Q02750, Q05397, and Q13464
DOI: 10.7270/q2h41t1d
title: BindingDB Entry 50044706: 2-Phenylindole and Arylsulphonamide: Novel Scaffolds Bactericidal against Mycobacterium tuberculosis.

description: Small molecule binding data for protein Enoyl-ACP Reductase (InhA), Uniprot P9WGR1
DOI: 10.7270/q2h9972k
title: BindingDB Entry 50047232: Synthesis, in vitro evaluation, and molecular modeling investigation of benzenesulfonimide peroxisome proliferator-activated receptorsa antagonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha (PPAR alpha), Uniprot Q07869
DOI: 10.7270/q2jd4zj0
title: BindingDB Entry 50046191: Cloning, characterization and anion inhibition studies of a new¿-carbonic anhydrase from the Antarctic bacterium Pseudoalteromonas haloplanktis.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Gamma-carbonic anhydrase, Uniprot P00915, P00918, and P40881
DOI: 10.7270/q2js9s7k
title: BindingDB Entry 50046708: Identification of Substituted Naphthotriazolediones as Novel Tryptophan 2,3-Dioxygenase (TDO) Inhibitors through Structure-Based Virtual Screening.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Catalase, Epidermal growth factor receptor, Indoleamine 2,3-dioxygenase, Mu-type opioid receptor, Protein-tyrosine phosphatase 1B, Serine/threonine-protein kinase Aurora, Tryptophan 2,3-dioxygenase, and Tyrosine-protein kinase receptor FLT3, Uniprot O14965, P00533, P04040, P14902, P18031, P35372, P36888, P48775, and P61073
DOI: 10.7270/q2k075z5
title: BindingDB Entry 50045675: Synthesis of diethyl 4-substituted-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylates as a new series of inhibitors against yeasta-glucosidase.

description: Small molecule binding data for protein α-glucosidase, Uniprot P53051
DOI: 10.7270/q2mw2jrd
title: BindingDB Entry 50044705: Exploration of 3-Aminoazetidines as Triple Reuptake Inhibitors by Bioisosteric Modification of 3-a-Oxyazetidine.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P31645, P33261, Q01959, and Q12809
DOI: 10.7270/q2p55q8q
title: BindingDB Entry 50046190: Synthesis and biological evaluation of isoflavone amide derivatives with antihyperlipidemic and preadipocyte antiproliferative activities.

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P22687
DOI: 10.7270/q2rn39fp
title: BindingDB Entry 50044704: Design and Synthesis of Orally Bioavailable Benzimidazole Reverse Amides as Pan RAF Kinase Inhibitors.

description: Small molecule binding data for protein Macrophage colony stimulating factor receptor, PDGFR-beta/Platelet-derived growth factor receptor alpha, RAF serine/threonine protein kinase, SRC, Tyrosine-protein kinase Kit (Kit), and Vascular endothelial growth factor receptor, Uniprot L7RSL3, P06239, P07333, P09619, P10721, P15056, P16234, P17948, P35916, and P35968
DOI: 10.7270/q2rv0qb7
title: BindingDB Entry 50045238: Bioisosteric replacement of an acylureido moiety attached to an indolin-2-one scaffold with a malonamido or a 2/4-pyridinoylamido moiety produces a selectively potent Aurora-B inhibitor.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Hepatocyte growth factor receptor, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Aurora-C, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 2, and Voltage-gated potassium channel, Uniprot O14965, P05177, P08581, P08684, P09619, P10635, P11712, P16234, P33261, P35968, P36888, Q12809, Q96GD4, and Q9UQB9
DOI: 10.7270/q2sx6g04
title: BindingDB Entry 50046189: Discovery of 3,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2(1H)-one derivatives as novel JAK inhibitors.

description: Small molecule binding data for protein JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P23458, and P52333
DOI: 10.7270/q2tb18qm
title: BindingDB Entry 50046706: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.

description: Small molecule binding data for protein MAP kinase ERK2, Uniprot P28482
DOI: 10.7270/q2vh5qqj
title: BindingDB Entry 50047237: Dual Alleviation of Acute and Neuropathic Pain by Fused Opioid Agonist-Neurokinin 1 Antagonist Peptidomimetics.

description: Small molecule binding data for protein Delta-type opioid receptor, Neurokinin 1 receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P25103, P32300, P33533, P33535, and P97266
DOI: 10.7270/q2wm1g2z
title: BindingDB Entry 50045237: Multi-dimensional target profiling of N,4-diaryl-1,3-thiazole-2-amines as potent inhibitors of eicosanoid metabolism.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2x92d18
title: BindingDB Entry 50045680: BMS-871: a novel orally active pan-Notch inhibitor as an anticancer agent.

description: Small molecule binding data for protein Neurogenic locus notch homolog protein 2, Neurogenic locus notch homolog protein 4, Notch 1 intracellular domain (Notch 1), and Notch 3 intracellular domain (Notch 3), Uniprot P46531, Q04721, Q99466, and Q9UM47
DOI: 10.7270/q2z321gs
title: BindingDB Entry 50046705: Hirsutinolide Series Inhibit Stat3 Activity, Alter GCN1, MAP1B, Hsp105, G6PD, Vimentin, TrxR1, and Importina-2 Expression, and Induce Antitumor Effects against Human Glioma.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2028t42
title: BindingDB Entry 50044710: C-terminal residue optimization and fragment merging: discovery of a potent Peptide-hybrid inhibitor of dengue protease.

description: Small molecule binding data for protein Genome polyprotein, Uniprot P06935
DOI: 10.7270/q20c4xdg
title: BindingDB Entry 50045244: Novel inhibitors of the high-affinity L-proline transporter as potential therapeutic agents for the treatment of cognitive disorders.

description: Small molecule binding data for protein Sodium-dependent dopamine transporter and Sodium-dependent proline transporter, Uniprot Q01959 and Q99884
DOI: 10.7270/q21g0p1g
title: BindingDB Entry 50046195: Structure-based optimization of a peptidyl inhibitor against calcineurin-nuclear factor of activated T cell (NFAT) interaction.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B and Protein-tyrosine phosphatase 1C, Uniprot P18031 and P29350
DOI: 10.7270/q2445p46
title: BindingDB Entry 50045243: Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Lactate dehydrogenase A (LDHA), Lactate dehydrogenase B (LDHB), Malate dehydrogenase cytoplasmic, and Malate dehydrogenase, mitochondrial, Uniprot P00338, P05177, P07195, P08684, P10635, P11712, P40925, and P40926
DOI: 10.7270/q24t6m36
title: BindingDB Entry 50045686: Targeting DNA methylation with small molecules: what's next?

description: Small molecule binding data for protein DNA (cytosine-5)-methyltransferase 1 (DNMT1), DNA (cytosine-5)-methyltransferase 3B, DNMT3A2/3L complex, and Protein G9a (G9a), Uniprot P26358, Q96KQ7, Q9UBC3, and Q9Y6K1
DOI: 10.7270/q2571ds7
title: BindingDB Entry 50046194: Antimitotic and antivascular activity of heteroaroyl-2-hydroxy-3,4,5-trimethoxybenzenes.

description: Small molecule binding data for protein Tubulin alpha chain /beta chain, Uniprot Q6B856
DOI: 10.7270/q25m67jq
title: BindingDB Entry 50046711: (2-Arylethenyl)-1,3,5-triazin-2-amines as a novel histamine H4 receptor ligands.

description: Small molecule binding data for protein Cytochrome P450 3A, Histamine H4 Receptor, and Histamine receptor (H4), Uniprot P08684, Q91ZY2, and Q9H3N8
DOI: 10.7270/q26t0pj6
title: BindingDB Entry 50047245: Discovery of 2-((3-Amino-4-methylphenyl)amino)-N-(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide (CHMFL-ABL-053) as a Potent, Selective, and Orally Available BCR-ABL/SRC/p38 Kinase Inhibitor for Chronic Myeloid Leukemia.

description: Small molecule binding data for protein Discoidin domain-containing receptor 2, Epithelial discoidin domain-containing receptor 1, Mitogen-activated protein kinase 14, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Kit (Kit), and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00519, P10721, P12931, Q08345, Q16539, and Q16832
DOI: 10.7270/q29c7070
title: BindingDB Entry 50046710: Novel 2H-chromen-2-one derivatives of resveratrol: Design, synthesis, modeling and use as human monoamine oxidase inhibitors.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2bc4147
title: BindingDB Entry 50044715: Biotransformation of huperzine A by a fungal endophyte of Huperzia serrata furnished sesquiterpenoid-alkaloid hybrids.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2bk1f8x
title: BindingDB Entry 50047244: Identification of Novel GPR55 Modulators Using Cell-Impedance-Based Label-Free Technology.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, and G-protein coupled receptor 55, Uniprot P21554, P34972, and Q9Y2T6
DOI: 10.7270/q2cj8g45
title: BindingDB Entry 50045241: Discovery of azetidine based ene-amides as potent bacterial enoyl ACP reductase (FabI) inhibitors.

description: Small molecule binding data for protein Enoyl-ACP reductase
DOI: 10.7270/q2f191j0
title: BindingDB Entry 50046709: Novel aminotetrazole derivatives as selective STAT3 non-peptide inhibitors.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2gb25xb
title: BindingDB Entry 50047243: Investigations on the 4-Quinolone-3-carboxylic Acid Motif. 7. Synthesis and Pharmacological Evaluation of 4-Quinolone-3-carboxamides and 4-Hydroxy-2-quinolone-3-carboxamides as High Affinity Cannabinoid Receptor 2 (CB2R) Ligands with Improved Aqueous Solubility.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2h996t1
title: BindingDB Entry 50045240: Indolinone-based acetylcholinesterase inhibitors: synthesis, biological activity and molecular modeling.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2j104vs
title: BindingDB Entry 50045683: Synthetic derivatives of the SUMO consensus sequence provide a basis for improved substrate recognition.

description: Small molecule binding data for protein ubiquitin-conjugating enzyme E2I, Uniprot P63279
DOI: 10.7270/q2m32xm7
title: BindingDB Entry 50047242: Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).

description: Small molecule binding data for protein Menin, Uniprot O00255
DOI: 10.7270/q2n29zkt
title: BindingDB Entry 50045239: Synthesis of novel chiral TBBt derivatives with hydroxyl moiety. Studies on inhibition of human protein kinase CK2a and cytotoxicity properties.

description: Small molecule binding data for protein Casein Kinase II, Uniprot P68400
DOI: 10.7270/q2n58p3w
title: BindingDB Entry 50046198: Design, synthesis and biological evaluation of 4-fluoropyrrolidine-2-carbonitrile and octahydrocyclopenta[b]pyrrole-2-carbonitrile derivatives as dipeptidyl peptidase IV inhibitors.

description: Small molecule binding data for protein Cytochrome P450 3A, Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, Fibroblast activation protein alpha, and Voltage-gated potassium channel, Uniprot P08684, P27487, Q12809, Q12884, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q2ns0wm8
title: BindingDB Entry 50045682: Design, synthesis, biological evaluation and molecular modeling of dihydropyrazole sulfonamide derivatives as potential COX-1/COX-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2pk0hzf
title: BindingDB Entry 50046707: Synthesis, biological evaluation and 3D-QSAR studies of imidazolidine-2,4-dione derivatives as novel protein tyrosine phosphatase 1B inhibitors.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2qn68dn
title: BindingDB Entry 50044712: Structure-Based Design of a Potent, Selective, and Brain Penetrating PDE2 Inhibitor with Demonstrated Target Engagement.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Phosphodiesterase 11A (PDE11A), Phosphodiesterase 1A (PDE1A), Phosphodiesterase 7, Phosphodiesterase 9A, Phosphodiesterase Type 10 (PDE10A), cAMP-specific 3',5'-cyclic phosphodiesterase 4D, cGMP-dependent 3',5'-cyclic phosphodiesterase, and cGMP-inhibited 3',5'-cyclic phosphodiesterase B, Uniprot O00408, O76083, P05177, P08684, P10635, P11712, P33261, P54750, Q08499, Q13370, Q13946, Q9HCR9, and Q9QYJ6
DOI: 10.7270/q2qr5012
title: BindingDB Entry 50047238: Dihydropteridinone Inhibitors of BRD4.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2rx9dtw
title: BindingDB Entry 50046197: Synthesis and pharmacological investigation of aralkyl diamine derivatives as potential triple reuptake inhibitors.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q2sj1nb0
title: BindingDB Entry 50045681: Elimination of a cholecystokinin receptor agonist 'trigger' in an effort to develop positive allosteric modulators without intrinsic agonist activity.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P32238 and P32239
DOI: 10.7270/q2vd712g
title: BindingDB Entry 50044711: Structure-Based Design of Reactive Nucleosides for Site-Specific Modification of the A2A Adenosine Receptor.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A3, and Alpha-2A adrenergic receptor, Uniprot P08913, P0DMS8, P29274, and P30542
DOI: 10.7270/q2wq05j5
title: BindingDB Entry 50046196: Modification on ursodeoxycholic acid (UDCA) scaffold. discovery of bile acid derivatives as selective agonists of cell-surface G-protein coupled bile acid receptor 1 (GP-BAR1).

description: Small molecule binding data for protein G-protein coupled bile acid receptor 1, Uniprot Q8TDU6
DOI: 10.7270/q20g3mx4
title: BindingDB Entry 50046203: Structure-affinity/activity relationships of 1,4-dioxa-spiro[4.5]decane based ligands ata&lt;alpha&gt;1 and 5-HT1A receptors.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Adrenergic alpha1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P08908, P25100, P35348, and P35368
DOI: 10.7270/q2125vcs
title: BindingDB Entry 50045687: Rational design of partial agonists for the muscarinic m1 acetylcholine receptor.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P11229
DOI: 10.7270/q21v5gt0
title: BindingDB Entry 50046712: New multifunctional melatonin-derived benzylpyridinium bromides with potent cholinergic, antioxidant, and neuroprotective properties as innovative drugs for Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q22v2hq7
title: BindingDB Entry 50044717: Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276, P21836, and P22303
DOI: 10.7270/q2319xrb
title: BindingDB Entry 50047246: Discovery of Narrow Spectrum Kinase Inhibitors: New Therapeutic Agents for the Treatment of COPD and Steroid-Resistant Asthma.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, SRC, and p38 delta/gamma, Uniprot P08631, P53778, and Q16539
DOI: 10.7270/q2474cnv
title: BindingDB Entry 50046202: Design, synthesis and pharmacological evaluation of chalcone derivatives as acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q26m38dh
title: BindingDB Entry 50044716: Cyclic adenosine 5'-diphosphate ribose analogs without a"southern" ribose inhibit ADP-ribosyl cyclase-hydrolase CD38.

description: Small molecule binding data for protein Lymphocyte differentiation antigen CD38, Uniprot P28907
DOI: 10.7270/q26w9cr8
title: BindingDB Entry 50045250: Novel inhibitors of human histone deacetylases: design, synthesis and bioactivity of 3-alkenoylcoumarines.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 3/NCoR1, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, Q13547, Q92769, Q969S8, Q96DB2, Q9BY41, and Q9UBN7
DOI: 10.7270/q27w6dtr
title: BindingDB Entry 50045242: Identification of pirinixic acid derivatives bearing a 2-aminothiazole moiety combines dual PPARa/¿ activation and dual 5-LO/mPGES-1 inhibition.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Prostaglandin E synthase, Uniprot O14684, P09917, P37231, and Q07869
DOI: 10.7270/q28054d1
title: BindingDB Entry 50046201: Discovery of a new family of carbonic anhydrases in the malaria pathogen Plasmodium falciparum--the¿-carbonic anhydrases.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q28k7bs2
title: BindingDB Entry 50045685: Selective inhibitors of protein methyltransferases.

description: Small molecule binding data for protein Histone H3-K79 methyltransferase (DOT1L), Histone-arginine methyltransferase CARM1, Histone-lysine N-methyltransferase EHMT1, Histone-lysine N-methyltransferase EZH2, Histone-lysine N-methyltransferase SUV39H1, Protein G9a (G9a), Protein arginine methyltransferase 3 (PRMT3), Protein-arginine N-methyltransferase 1, SET and MYND domain-containing protein 2 (SMYD2), SET domain-containing protein 2 (SETD2), SET domain-containing protein 7/9 (Set7/9), and SET domain-containing protein 8 (SetD8), Uniprot O43463, Q15910, Q86X55, Q8TEK3, Q8WTS6, Q96KQ7, Q9BYW2, Q9H9B1, Q9NQR1, and Q9NRG4
DOI: 10.7270/q2bp04f3
title: BindingDB Entry 50045249: Discovery of 9-(1-phenoxyethyl)-2-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxamides as oral PI3Kß inhibitors, useful as antiplatelet agents.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, and PI3-kinase subunit gamma, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q2cc12cz
title: BindingDB Entry 50045692: Design, synthesis, and structure-activity relationship of novel LSD1 inhibitors based on pyrimidine-thiourea hybrids as potent, orally active antitumor agents.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, and P27338
DOI: 10.7270/q2cr5w42
title: BindingDB Entry 50046200: Transition state mimetics of the Plasmodium export element are potent inhibitors of Plasmepsin V from P. falciparum and P. vivax.

description: Small molecule binding data for protein Beta-secretase 1, Cathepsin D, and Plasmepsin V, Uniprot P07339 and P56817
DOI: 10.7270/q2d79d4x
title: BindingDB Entry 50045684: Targeting aldose reductase for the treatment of diabetes complications and inflammatory diseases: new insights and future directions.

description: Small molecule binding data for protein Aldehyde reductase, Aldo-keto reductase family member 1B10 (AKR1B10), and Aldose reductase (AR), Uniprot O60218, P14550, and P15121