cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2x92fbq
title: BindingDB Entry 9271: Pyrimidinone and its derivatives inhibiting factor XIa

description: Small molecule binding data for protein Coagulation factor XI, Uniprot P03951
DOI: 10.7270/q2x92fc5
title: BindingDB Entry 9480: Spiro-cyclic amine derivatives as S1P modulators

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor 1, Sphingosine 1-phosphate receptor 3, and Sphingosine 1-phosphate receptor 5, Uniprot P21453, Q99500, and Q9H228
DOI: 10.7270/q2x92fdm
title: BindingDB Entry 9658: Multi-functionalized polysaccharide compounds and use thereof for targeting the cation-independent mannose 6-phosphate receptor

description: Small molecule binding data for protein Cation-independent mannose-6-phosphate receptor, Uniprot P11717
DOI: 10.7270/q2x92ff2
title: BindingDB Entry 9867: Immunomodulators

description: Small molecule binding data for protein Programmed cell death 1 ligand 1 [19-239], Uniprot Q9NZQ7
DOI: 10.7270/q2x92fgh
title: BindingDB Entry 10254: Inhibitors of dihydroceramide desaturase for treating disease

description: Small molecule binding data for protein Sphingolipid delta(4)-desaturase DES1, Uniprot O15121
DOI: 10.7270/q2x92fhz
title: BindingDB Entry 10641: 2,4-disubstituted pyrimidines useful as kinase inhibitors

description: Small molecule binding data for protein Cytoplasmic tyrosine-protein kinase BMX, Epidermal growth factor receptor, Epidermal growth factor receptor [T790M,L858R], Epidermal growth factor receptor [T790M], Tyrosine-protein kinase BTK, Tyrosine-protein kinase ITK/TSK, and Tyrosine-protein kinase JAK3, Uniprot P00533, P51813, P52333, Q06187, and Q08881
DOI: 10.7270/q2x92fjd
title: BindingDB Entry 50006794: Design of a True Bivalent Ligand with Picomolar Binding Affinity for a G Protein-Coupled Receptor Homodimer.

description: Small molecule binding data for protein D(2) dopamine receptor, Uniprot P14416
DOI: 10.7270/q2x92fkv
title: BindingDB Entry 50007111: Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.

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/q2x92fm9
title: BindingDB Entry 50007390: Discovery of

description: Small molecule binding data for protein Arginase-1, Uniprot P05089
DOI: 10.7270/q2x92fnr
title: BindingDB Entry 50007722: Multi-target compounds acting in cancer progression: Focus on thiosemicarbazone, thiazole and thiazolidinone analogues.

description: Small molecule binding data for protein Coagulation factor X, Hepatocyte growth factor activator, Histone deacetylase 1, Prothrombin, Proto-oncogene tyrosine-protein kinase Src, Serine protease hepsin, and Suppressor of tumorigenicity 14 protein, Uniprot P00734, P00742, P05981, P12931, Q04756, Q13547, and Q9Y5Y6
DOI: 10.7270/q2x92fp6
title: BindingDB Entry 50008324: Development of Macrocyclic Peptides Containing Epoxyketone with Oral Availability as Proteasome Inhibitors.

description: Small molecule binding data for protein Proteasome subunit beta type-5, Uniprot P28074
DOI: 10.7270/q2x92fqn
title: BindingDB Entry 50008979: Insights into the chemistry and therapeutic potential of furanones: A versatile pharmacophore.

description: Small molecule binding data for protein Cyclin-dependent kinase 5 activator 1, Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1, Glycogen synthase kinase-3 alpha/beta, Phospholipase A2, Prostaglandin G/H synthase 2, and Tyrosinase, Uniprot O02768, P00630, P06493, P14635, P14679, P35354, P49840, P49841, P70682, P79208, Q00535, Q05769, and Q15078
DOI: 10.7270/q2x92fr3
title: BindingDB Entry 50009590: Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.

description: Small molecule binding data for protein Tyrosine-protein kinase ABL1, Uniprot P00519
DOI: 10.7270/q2x92fsj
title: BindingDB Entry 50010196: Discovery of New Chemical Entities for Old Targets: Insights on the Lead Optimization of Chromone-Based Monoamine Oxidase B (MAO-B) 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/q2x92ft0
title: BindingDB Entry 50010491: Selective acetylcholinesterase inhibitors derived from muscle relaxant dantrolene.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2x92fvf
title: BindingDB Entry 50010782: Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1.

description: Small molecule binding data for protein Carbamoyl-phosphate synthase [ammonia], mitochondrial, Uniprot P31327
DOI: 10.7270/q2x92fww
title: BindingDB Entry 50011122: Design, synthesis and identification of N, N-dibenzylcinnamamide (DBC) derivatives as novel ligands for α-synuclein fibrils by SPR evaluation system.

description: Small molecule binding data for protein Alpha-synuclein, Uniprot P37840
DOI: 10.7270/q2x92fxb
title: BindingDB Entry 50011750: Battle tactics against MMP-9; discovery of novel non-hydroxamate MMP-9 inhibitors endowed with PI3K/AKT signaling attenuation and caspase 3/7 activation via Ugi bis-amide synthesis.

description: Small molecule binding data for protein 72 kDa type IV collagenase, Collagenase 3, Interstitial collagenase, Matrix metalloproteinase-9, and RAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase, Uniprot P03956, P08253, P14780, P31749, P31751, P45452, and Q9Y243
DOI: 10.7270/q2x92fzs
title: BindingDB Entry 50012369: Antitubercular 2-Pyrazolylpyrimidinones: Structure-Activity Relationship and Mode-of-Action Studies.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q2x92g0n
title: BindingDB Entry 50012998: Pyridazinone derivatives as potential anti-inflammatory agents: synthesis and biological evaluation as PDE4 inhibitors.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2x92g13
title: BindingDB Entry 50013369: Discovery of simplified benzazole fragments derived from the marine benzosceptrin B as necroptosis inhibitors involving the receptor interacting protein Kinase-1.

description: Small molecule binding data for protein Aurora kinase B, Casein kinase I isoform delta, Casein kinase I isoform epsilon, Cyclin-A2/Cyclin-dependent kinase 2, Cyclin-T1/Cyclin-dependent kinase 9, Cyclin-dependent kinase 5 activator 1, Dual specificity protein kinase CLK1, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Receptor-interacting serine/threonine-protein kinase 1, Receptor-interacting serine/threonine-protein kinase 3, Serine/threonine-protein kinase haspin, Serine/threonine-protein kinase pim-1, Tyrosine-protein kinase ABL1, and Tyrosine-protein kinase JAK3, Uniprot O60563, P00519, P11309, P20248, P22518, P24941, P48730, P49674, P50750, P52333, Q00535, Q13546, Q15078, Q63470, Q8TF76, Q96GD4, and Q9Y572
DOI: 10.7270/q2x92g2j
title: BindingDB Entry 50013669: Pyrrolo[1,2-a]quinoxal-5-inium salts and 4,5-dihydropyrrolo[1,2-a]quinoxalines: Synthesis, activity and computational docking for protein tyrosine phosphatase 1B.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 1 and Tyrosine-protein phosphatase non-receptor type 2, Uniprot P17706 and P18031
DOI: 10.7270/q2x92g30
title: BindingDB Entry 50013992: Discovery of novel potent migrastatic Thiazolo[5,4-b]pyridines targeting Lysyl-tRNA synthetase (KRS) for treatment of Cancer metastasis.

description: Small molecule binding data for protein Lysine--tRNA ligase, Uniprot Q15046
DOI: 10.7270/q2x92g4f
title: BindingDB Entry 50014296: Synthesis and evaluation of FAK inhibitors with a 5-fluoro-7H-pyrrolo[2,3-d]pyrimidine scaffold as anti-hepatocellular carcinoma agents.

description: Small molecule binding data for protein Focal adhesion kinase 1, Uniprot Q05397
DOI: 10.7270/q2x92g5w
title: BindingDB Entry 50014653: A γ-lactam siderophore antibiotic effective against multidrug-resistant Pseudomonas aeruginosa, Klebsiella pneumoniae, and Acinetobacter spp.

description: Small molecule binding data for protein Peptidoglycan D,D-transpeptidase FtsI, Uniprot Q51504
DOI: 10.7270/q2xd14qk
title: BindingDB Entry 9062: Tricyclic heterocycles as BET protein inhibitors

description: Small molecule binding data for protein Bromodomain-containing protein 4 [342-460] and Bromodomain-containing protein 4 [49-170], Uniprot O60885
DOI: 10.7270/q2xd14r1
title: BindingDB Entry 9449: Heterocyclic inhibitors of ATR kinase

description: Small molecule binding data for protein ATR-interacting protein/Serine/threonine-protein kinase ATR and Serine/threonine-protein kinase Chk1, Uniprot O14757, Q13535, and Q8WXE1
DOI: 10.7270/q2xd14sg
title: BindingDB Entry 9836: Aminopyrimidinyl compounds

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q2xd14tx
title: BindingDB Entry 10045: Dihydroquinoxaline bromodomain recognition protein inhibitor, preparation method and use thereof

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2xd14vc
title: BindingDB Entry 10223: Antagonists of the muscarinic acetylcholine receptor M4

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M4, Uniprot P08173
DOI: 10.7270/q2xd14wt
title: BindingDB Entry 10432: Combination of isoindolinone derivatives with SGI-110

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2xd14x8
title: BindingDB Entry 10819: Selective A2A receptor antagonist

description: Small molecule binding data for protein Adenosine receptor A2a, Uniprot P30543
DOI: 10.7270/q2xd14zq
title: BindingDB Entry 50007063: Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533 and Q01279
DOI: 10.7270/q2xd150k
title: BindingDB Entry 50007676: Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Poly [ADP-ribose] polymerase 1, Poly [ADP-ribose] polymerase 2, Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2, Poly [ADP-ribose] polymerase tankyrase-2, and Protein mono-ADP-ribosyltransferase PARP10, Uniprot O95271, P05177, P08684, P09874, P10632, P10635, P11712, P20813, P33261, Q53GL7, Q9H2K2, and Q9UGN5
DOI: 10.7270/q2xd1511
title: BindingDB Entry 50008003: Discovery of Selective Small Molecule Degraders of BRAF-V600E.

description: Small molecule binding data for protein Serine/threonine-protein kinase B-raf, Uniprot P15056
DOI: 10.7270/q2xd152g
title: BindingDB Entry 50008286: Discovery and Development of N-[4-(1-Cyclobutylpiperidin-4-yloxy)phenyl]-2-(morpholin-4-yl)acetamide Dihydrochloride (SUVN-G3031): A Novel, Potent, Selective, and Orally Active Histamine H

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, and Histamine H3 receptor, Uniprot P05177, P05181, P08684, P10632, P10635, P11509, P11712, P20813, P33261, P40989, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q2xd153x
title: BindingDB Entry 50008620: Synthesis and evaluation of potent and selective MGL inhibitors as a glaucoma treatment.

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 [30-579] and Monoglyceride lipase, Uniprot P97612, Q8R431, and Q99685
DOI: 10.7270/q2xd154c
title: BindingDB Entry 50009271: Rational modification of Mannich base-type derivatives as novel antichagasic compounds: Synthesis, in vitro and in vivo evaluation.

description: Small molecule binding data for protein Superoxide dismutase [Cu-Zn], Uniprot P00441
DOI: 10.7270/q2xd155t
title: BindingDB Entry 50009873: Cholinesterase inhibitory activity of chlorophenoxy derivatives-Histamine H3 receptor ligands.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, and Histamine H3 receptor, Uniprot O42275, P81908, and Q9Y5N1
DOI: 10.7270/q2xd1568
title: BindingDB Entry 50010445: Discovery of a novel 2,3-dimethylimidazo[1,2-a]pyrazine-6-carboxamide M

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M4, Uniprot P08173 and P08485
DOI: 10.7270/q2xd157q
title: BindingDB Entry 50011075: Bisphenol AF: Halogen bonding effect is a major driving force for the dual ERα-agonist and ERβ-antagonist activities.

description: Small molecule binding data for protein Estrogen receptor and Estrogen receptor beta, Uniprot P03372 and Q92731
DOI: 10.7270/q2xd1585
title: BindingDB Entry 50011414: TBA

description: Small molecule binding data for protein Telomeric repeat-binding factor 2, Uniprot Q15554
DOI: 10.7270/q2xd159m
title: BindingDB Entry 50011697: Synthesis and evaluation of a radioiodinated 4,6-diaryl-3-cyano-2-pyridinone derivative as a survivin targeting SPECT probe for tumor imaging.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 5, Uniprot O15392
DOI: 10.7270/q2xd15b2
title: BindingDB Entry 50012049: Structure-based drug optimization and biological evaluation of tetrahydroquinolin derivatives as selective and potent CBP bromodomain inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 4 and CREB-binding protein, Uniprot O60885 and Q92793
DOI: 10.7270/q2xd15ch
title: BindingDB Entry 50012661: Small Molecules Selectively Targeting Sigma-1 Receptor for the Treatment of Neurological Diseases.

description: Small molecule binding data for protein Acetylcholinesterase, Alpha-2A adrenergic receptor, Amine oxidase [flavin-containing] A, D(2) dopamine receptor, Histamine H3 receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Sigma intracellular receptor 2, Sigma non-opioid intracellular receptor 1, Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot O55242, P08172, P08173, P08913, P11229, P14416, P20309, P21397, P22303, P23975, P31645, P35372, P41145, Q01959, Q5BJF2, Q5U3Y7, Q60492, Q8VD00, Q99720, Q9QYN8, and Q9R0C9
DOI: 10.7270/q2xd15dz
title: BindingDB Entry 50013311: Synthesis, in vitro evaluation and molecular docking of a new class of indolylpropyl benzamidopiperazines as dual AChE and SERT ligands for Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Sodium-dependent serotonin transporter, Uniprot P22303 and P31645
DOI: 10.7270/q2xd15fd
title: BindingDB Entry 50013941: Enantiomeric profiling of a chiral benzothiazole necroptosis inhibitor.

description: Small molecule binding data for protein Receptor-interacting serine/threonine-protein kinase 1 and Receptor-interacting serine/threonine-protein kinase 3, Uniprot Q13546 and Q9Y572
DOI: 10.7270/q2xd15gv
title: BindingDB Entry 50014608: Structure-based screening for the discovery of 1,2,4-oxadiazoles as promising hits for the development of new anti-inflammatory agents interfering with eicosanoid biosynthesis pathways.

description: Small molecule binding data for protein Polyunsaturated fatty acid 5-lipoxygenase and Prostaglandin E synthase, Uniprot O14684 and P09917
DOI: 10.7270/q2xg9v68
title: BindingDB Entry 9240: Inhibitors of diacylglycerol O-acyltransferase 1 (DGAT-1) and uses thereof

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1, Uniprot O75907
DOI: 10.7270/q2xg9v7q
title: BindingDB Entry 9627: Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases

description: Small molecule binding data for protein Coagulation factor X, Coagulation factor XI, and Prothrombin, Uniprot P00734, P00742, and P03951
DOI: 10.7270/q2xg9v85
title: BindingDB Entry 10014: TYK2 inhibitors and uses thereof

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2 [556-888], Uniprot P29597
DOI: 10.7270/q2xg9v9m
title: BindingDB Entry 10401: Cyclin dependent kinase inhibitors

description: Small molecule binding data for protein Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 and Cyclin-dependent kinase 6/G1/S-specific cyclin-D3, Uniprot P11802, P24385, P30281, and Q00534
DOI: 10.7270/q2xg9vb2
title: BindingDB Entry 10610: Substituted pyrazolo[3,4-d]pyrimidines as Wee1 inhibitors

description: Small molecule binding data for protein Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase and Wee1-like protein kinase, Uniprot P30291 and Q99640
DOI: 10.7270/q2xg9vch
title: BindingDB Entry 10788: Indazoles and azaindazoles as LRRK2 inhibitors

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 and Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S], Uniprot Q5S007
DOI: 10.7270/q2xg9vdz
title: BindingDB Entry 50006745: PROTAC-Mediated Degradation of Estrogen Receptor in the Treatment of Cancer.

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372
DOI: 10.7270/q2xg9vfd
title: BindingDB Entry 50007330: Amides and Flavonoids from the Fruit and Leaf Extracts of Melodorum siamensis.

description: Small molecule binding data for protein Transcription factor p65, Uniprot Q04207
DOI: 10.7270/q2xg9vgv
title: BindingDB Entry 50007950: Novel Cell-Penetrating Peptide Conjugated Proteasome Inhibitors: Anticancer and Antifungal Investigations.

description: Small molecule binding data for protein A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436, Uniprot A5LHX3, O14818, P20618, P25786, P25787, P25788, P25789, P28062, P28065, P28066, P28070, P28072, P28074, P40306, P49720, P49721, P60900, Q8TAA3, and Q99436
DOI: 10.7270/q2xg9vh9
title: BindingDB Entry 50008562: Aromatic-Amine Pendants Produce Highly Potent and Efficacious Mixed Efficacy μ-Opioid Receptor (MOR)/δ-Opioid Receptor (DOR) Peptidomimetics with Enhanced Metabolic Stability.

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/q2xg9vjr
title: BindingDB Entry 50008936: Design, synthesis and biological evaluation of benzimidazole derivatives as novel human Pin1 inhibitors.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Uniprot Q13526
DOI: 10.7270/q2xg9vk6
title: BindingDB Entry 50009215: Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Fascin, Uniprot P08684, P10635, P11712, P33261, P40989, and Q16658
DOI: 10.7270/q2xg9vmn
title: BindingDB Entry 50009548: Boronate, trifluoroborate, sulfone, sulfinate and sulfonate congeners of oseltamivir carboxylic acid: Synthesis and anti-influenza activity.

description: Small molecule binding data for protein Neuraminidase, Uniprot P03468
DOI: 10.7270/q2xg9vn3
title: BindingDB Entry 50009833: Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8.

description: Small molecule binding data for protein Cyclin-C and Cyclin-dependent kinase 8, Uniprot P24863 and P49336
DOI: 10.7270/q2xg9vpj
title: BindingDB Entry 50010147: Potential of ROCK Inhibitors as Treatment for Cardiovascular Diseases, Cancer, and More.

description: Small molecule binding data for protein Rho-associated protein kinase 2, Uniprot O75116
DOI: 10.7270/q2xg9vq0
title: BindingDB Entry 50010733: Aromatic Esters of the Crinane Amaryllidaceae Alkaloid Ambelline as Selective Inhibitors of Butyrylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276, P22303, and P81908
DOI: 10.7270/q2xg9vrf
title: BindingDB Entry 50011365: Soluble guanylate cyclase stimulators for the treatment of hypertension: Discovery of MK-2947.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Guanylate cyclase soluble subunit alpha-1/beta-1, Uniprot P08684, P10635, P11712, P40989, Q02108, and Q02153
DOI: 10.7270/q2xg9vsw
title: BindingDB Entry 50012004: Understanding the mechanism of action of pyrrolo[3,2-

description: Small molecule binding data for protein Ephrin type-B receptor 4 and Tyrosine-protein kinase ABL2, Uniprot P42684 and P54760
DOI: 10.7270/q2xg9vtb
title: BindingDB Entry 50012320: Discovery of novel quinazoline derivatives as potent PI3Kδ inhibitors with high selectivity.

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q2xg9vvs
title: BindingDB Entry 50012619: Treatment of Metabolic Disorders with CB-1 Receptor Inverse Agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2xg9vw7
title: BindingDB Entry 50012947: Novel KIF18A Inhibitors for Treating Cancer.

description: Small molecule binding data for protein Kinesin-like protein KIF18A, Uniprot Q8NI77
DOI: 10.7270/q2xg9vxp
title: BindingDB Entry 50013591: Synthesis and evaluation of multi-target-directed ligands with BACE-1 inhibitory and Nrf2 agonist activities as potential agents against Alzheimer's disease.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2xg9vz4
title: BindingDB Entry 50014255: Discovery of new human Sirtuin 5 inhibitors by mimicking glutaryl-lysine substrates.

description: Small molecule binding data for protein NAD-dependent protein deacetylase sirtuin-1, NAD-dependent protein deacetylase sirtuin-2, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, NAD-dependent protein deacylase sirtuin-5, mitochondrial, and NAD-dependent protein deacylase sirtuin-6, Uniprot Q8IXJ6, Q8N6T7, Q96EB6, Q9NTG7, and Q9NXA8
DOI: 10.7270/q2xk8jjp
title: BindingDB Entry 9031: TRPV4 antagonists

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 4, Uniprot Q9HBA0
DOI: 10.7270/q2xk8jk4
title: BindingDB Entry 9209: MCL-1 inhibitors

description: Small molecule binding data for protein Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327], Uniprot O43521 and Q07820
DOI: 10.7270/q2xk8jmk
title: BindingDB Entry 9418: 8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives

description: Small molecule binding data for protein Mu-type opioid receptor and Nociceptin receptor, Uniprot P35372 and P41146