cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2r49t79
title: BindingDB Entry 50000902: Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin (L and K), Cathepsin S, Cathepsin V, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, and Rhodesain, Uniprot A0A024R141, A0A024R276, A0A024R374, C1ID52, O60911, P07711, P07858, P08684, P10635, P11712, P25774, Q6GRK0, Q95PM0, and S5RV20
DOI: 10.7270/q2mc92gh
title: BindingDB Entry 50000903: 2 H-1,2,3-Triazole-Based Dipeptidyl Nitriles: Potent, Selective, and Trypanocidal Rhodesain Inhibitors by Structure-Based Design.

description: Small molecule binding data for protein Cathepsin (L and K), Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, and Rhodesain, Uniprot A0A024R276, C1ID52, P07711, P08684, P10635, P11712, Q6GRK0, Q95PM0, and S5RV20
DOI: 10.7270/q2gm89rs
title: BindingDB Entry 50000907: Tetrahydroquinoline Ring as a Versatile Bioisostere of Tetralin for Melatonin Receptor Ligands.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039 and P49286
DOI: 10.7270/q2bv7k2x
title: BindingDB Entry 50000908: Lead Diversification at the Nanomole Scale Using Liver Microsomes and Quantitative Nuclear Magnetic Resonance Spectroscopy: Application to Phosphodiesterase 2 Inhibitors.

description: Small molecule binding data for protein Homo sapiens phosphodiesterase 2A (PDE2A), Uniprot O00408
DOI: 10.7270/q2736tcz
title: BindingDB Entry 50000909: Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1.

description: Small molecule binding data for protein Melanocortin receptor (M4 and M5), Melanocortin receptor 3, Melanocortin receptor 4, and Melanocyte-stimulating hormone receptor, Uniprot P32245, P33032, P41968, Q01726, and Q1JUL4
DOI: 10.7270/q23b62m5
title: BindingDB Entry 50000910: Structure-Activity Relationship Study of Cyclic Pentapeptide Ligands for Atypical Chemokine Receptor 3 (ACKR3).

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 and C-X-C chemokine receptor type 7 (CXCR7), Uniprot P25106 and P61073
DOI: 10.7270/q2zp48kn
title: BindingDB Entry 50000911: Orally Available Soluble Epoxide Hydrolase/Phosphodiesterase 4 Dual Inhibitor Treats Inflammatory Pain.

description: Small molecule binding data for protein EBifunctional epoxide hydrolase 2 and Epoxide hydrolase 2, Uniprot P34913 and P80299
DOI: 10.7270/q2tx3hvx
title: BindingDB Entry 50000913: Towardβ-Secretase-1 Inhibitors with Improved Isoform Selectivity.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Beta-secretase 1, and Beta-secretase 2, Uniprot A0A024R3D7, P40989, P56817, and Q9Y5Z0
DOI: 10.7270/q2kd21c4
title: BindingDB Entry 50000916: Discovery of a Novel Small-Molecule Modulator of C-X-C Chemokine Receptor Type 7 as a Treatment for Cardiac Fibrosis.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Atypical chemokine receptor 3, C-X-C chemokine receptor type 4, and C-X-C chemokine receptor type 7 (CXCR7), Uniprot P25106, P40989, P56485, and P61073
DOI: 10.7270/q2q52s3g
title: BindingDB Entry 50000915: Hydroxamic Acids Constitute a Novel Class of Autotaxin Inhibitors that Exhibit in Vivo Efficacy in a Pulmonary Fibrosis Model.

description: Small molecule binding data for protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Uniprot Q13822 and Q9R1E6
DOI: 10.7270/q2fn18nd
title: BindingDB Entry 50000919: 4-Hydroxyphenylpyruvate Dioxygenase and Its Inhibition in Plants and Animals: Small Molecules as Herbicides and Agents for the Treatment of Human Inherited Diseases.

description: Small molecule binding data for protein 4-hydroxyphenylpyruvate dioxygenase, Uniprot A0A5S9SZ06, O23920, P32755, P93836, and Q02110
DOI: 10.7270/q29w0hz4
title: BindingDB Entry 50000920: Emergence of Small-Molecule Non-RGD-Mimetic Inhibitors for RGD Integrins.

description: Small molecule binding data for protein ITGA5/ITGB1 and Integrin alpha-IIb/beta-3, Uniprot P05106, P05556, P08514, and P08648
DOI: 10.7270/q2668gnw
title: BindingDB Entry 50000921: DrugBank screening revealed alitretinoin and bexarotene as liver X receptor modulators.

description: Small molecule binding data for protein Oxysterols receptor LXR-alpha and Oxysterols receptor LXR-beta, Uniprot F1D8N1, P55055, and Q13133
DOI: 10.7270/q22f7qx5
title: BindingDB Entry 50000922: Discovery of an Inhibitor of the Proteasome Subunit Rpn11.

description: Small molecule binding data for protein 26S Proteasome regulatory subunit Rpn11 (Rpn11), 72 kDa type IV collagenase, Arachidonate 5-lipoxygenase, COP9 signalosome complex subunit 5 (Csn5), Carbonic anhydrases; II & IX, Histone deacetylase 1, Histone deacetylase 6, and STAM-binding protein (AMSH), Uniprot A0A024QZ26, A0A024R6R4, A0A024R7W9, A0A140VK54, A0A140VKF2, O00487, O95630, P00918, P08253, P09917, Q13547, Q6IT96, Q92905, Q9UBN7, and V9HW21
DOI: 10.7270/q2xp77f8
title: BindingDB Entry 50000923: Design, synthesis and biological evaluation of aminobenzyloxyarylamide derivatives as selectiveκ opioid receptor antagonists.

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/q2sx6gqj
title: BindingDB Entry 50000924: Vicinal diaryl azole-based urea derivatives as potential cholesterol lowering agents acting through inhibition of SOAT enzymes.

description: Small molecule binding data for protein Sterol O-acyltransferase 1 and Sterol O-acyltransferase 2, Uniprot O75908 and P35610
DOI: 10.7270/q2p55r0j
title: BindingDB Entry 50000926: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P06276 and P22303
DOI: 10.7270/q2dn47jg
title: BindingDB Entry 50000928: Design, synthesis and evaluation of derivatives based on pyrimidine scaffold as potent Pan-Raf inhibitors to overcome resistance.

description: Small molecule binding data for protein RAF proto-oncogene serine/threonine-protein kinase, RAF serine/threonine protein kinase, and Serine/threonine-protein kinase B-raf, Uniprot A0A024R178, L7RRS6, P04049, P10398, and P15056
DOI: 10.7270/q2jd5086
title: BindingDB Entry 50000927: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P06276 and P22303
DOI: 10.7270/q290267s
title: BindingDB Entry 50000929: Microscale High-Throughput Experimentation as an Enabling Technology in Drug Discovery: Application in the Discovery of (Piperidinyl)pyridinyl-1H-benzimidazole Diacylglycerol Acyltransferase 1 Inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 2C9, Cytochrome P450 3A, Diacylglycerol O-acyltransferase 1, Diacylglycerol O-acyltransferase 1 (DGAT1), and Nuclear receptor subfamily 1 group I member 2, Uniprot O75469, O75907, P08684, P11712, P40989, Q54AA6, Q6GRK0, Q9Z2A7, and S5RV20
DOI: 10.7270/q21g0prw
title: BindingDB Entry 50000931: Oligo-aspartic acid conjugates with benzo[c][2,6]naphthyridine-8-carboxylic acid scaffold as picomolar inhibitors of CK2.

description: Small molecule binding data for protein Casein kinase II subunit alpha and Serum albumin, Uniprot P02769 and P68400
DOI: 10.7270/q2571fgm
title: BindingDB Entry 50000930: Novel pyrrolopyrimidines as Mps1/TTK kinase inhibitors for breast cancer.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 4 (CDK4), Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase, Dual specificity protein kinase TTK, Focal adhesion kinase 1, Non-receptor tyrosine-protein kinase TYK2, PKC alpha and beta-2, Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Protein kinase C, PKC; classical/novel, RAC-alpha serine/threonine-protein kinase AKT1, SRC, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BTK, Tyrosine-protein kinase JAK3, Tyrosine-protein kinase Lyn, Tyrosine-protein kinase SYK, Tyrosine-protein kinase Yes, Tyrosine-protein kinase ZAP-70, c-Jun N-terminal kinase, JNK, and cAMP-dependent protein kinase (PKA), Uniprot A0A024R244, A0A024R7E4, A0A024R7J0, A0A024R7M7, A0A024R8E2, A0A024RBB6, A0A0S2Z3Y8, A4QPA9, B0LPE5, L7RSM7, P00519, P05129, P06239, P07947, P07948, P11802, P17252, P17612, P24385, P29597, P31749, P33981, P42336, P42338, P42345, P43403, P43405, P45983, P52333, Q02750, Q05397, Q06187, and Q6FI00
DOI: 10.7270/q2wq0680
title: BindingDB Entry 50000932: Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.

description: Small molecule binding data for protein Cytoplasmic tyrosine-protein kinase BMX, Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase, Epidermal growth factor receptor, Receptor protein-tyrosine kinase erbB-4, Receptor tyrosine-protein kinase erbB-2, Tyrosine-protein kinase BTK, and Tyrosine-protein kinase Blk, Uniprot A4QPA9, P00533, P04626, P51451, P51813, Q02750, Q06187, Q15303, and X5DNK3
DOI: 10.7270/q2n58pt9
title: BindingDB Entry 50000934: Pharmacological evaluation of novel (6-aminopyridin-3-yl)(4-(pyridin-2-yl)piperazin-1-yl) methanone derivatives as TRPV4 antagonists for the treatment of pain.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Transient receptor potential cation channel subfamily V member 4, and Vanilloid receptor, Uniprot Q8NER1, Q9ERZ8, and Q9HBA0
DOI: 10.7270/q2rx9fjq
title: BindingDB Entry 50000933: Investigation on cellular uptake and pharmacodynamics of DOCK2-inhibitory peptides conjugated with cell-penetrating peptides.

description: Small molecule binding data for protein Dedicator of cytokinesis protein 2, Uniprot Q92608
DOI: 10.7270/q2hd7z4f
title: BindingDB Entry 50000935: Positional Scanning Identifies the Molecular Determinants of a High Affinity Multi-Leucine Inhibitor for Furin and PACE4.

description: Small molecule binding data for protein Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA and Subtilisin/kexin type 6, Uniprot A0A024RC70, P09958, and P29122
DOI: 10.7270/q2cr5wt1
title: BindingDB Entry 50000936: Exploration of 2-((Pyridin-4-ylmethyl)amino)nicotinamide Derivatives as Potent Reversal Agents against P-Glycoprotein-Mediated Multidrug Resistance.

description: Small molecule binding data for protein Multidrug resistance protein 1/Multidrug resistance associated protein 1, Uniprot A4D1D2 and P08183
DOI: 10.7270/q280553d
title: BindingDB Entry 50000937: Rational Design, Synthesis, and Biological Evaluation of Heterocyclic Quinolones Targeting the Respiratory Chain of Mycobacterium tuberculosis.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Uniprot P40989
DOI: 10.7270/q20g3nmh
title: BindingDB Entry 50000939: Design and synthesis of novel 6-aryl substituted 4-anilinequinazoline derivatives as potential PI3Kδ inhibitors.

description: Small molecule binding data for protein Phosphoinositide 3-Kinase (PI3K), delta, Uniprot A0A2K8FKV1, A0A2X0SFG1, O00329, and P27986
DOI: 10.7270/q2474db7
title: BindingDB Entry 50000938: High-content screen using zebrafish (Danio rerio) embryos identifies a novel kinase activator and inhibitor.

description: Small molecule binding data for protein Death-associated protein kinase 1, ERO1-like protein alpha, Serine/threonine-protein kinase pim-3, and Serum albumin, Uniprot P02769, P53355, Q4FK57, Q86V86, and Q8R180
DOI: 10.7270/q2vq354m
title: BindingDB Entry 50000940: Structure-Based Discovery of New Antagonist and Biased Agonist Chemotypes for the Kappa Opioid Receptor.

description: Small molecule binding data for protein Kappa-type opioid receptor, Uniprot P41145
DOI: 10.7270/q2m61nqx
title: BindingDB Entry 50000943: Discovery of Novel Indazole Derivatives as Orally Availableβ

description: Small molecule binding data for protein Adrenergic receptor, Adrenergic receptor alpha, Alpha adrenergic receptor (1a and 1d), Alpha-1A adrenergic receptor, and Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Uniprot A8KAG8, B0ZBE0, P07550, P08588, P13945, P25100, P35348, P35368, and X5DQM5
DOI: 10.7270/q2qz2ddw
title: BindingDB Entry 50000942: Embarking on a Chemical Space Odyssey.

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1 (DGAT1), Uniprot O75907
DOI: 10.7270/q2gh9mft
title: BindingDB Entry 50000945: Discovery of Novel 1,4-Diacylpiperazines as Selective and Cell-Active eIF4A3 Inhibitors.

description: Small molecule binding data for protein ATP-dependent RNA helicase DHX29, Eukaryotic initiation factor 4A-I, Eukaryotic initiation factor 4A-II, Eukaryotic initiation factor 4A-III, and U5 small nuclear ribonucleoprotein 200 kDa helicase, Uniprot A0A024R8W0, O75643, P38919, P60842, Q14240, and Q7Z478
DOI: 10.7270/q27083x5
title: BindingDB Entry 50000947: Identification of the Clinical Candidate (R)-(1-(4-Fluorophenyl)-6-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinolin-4a-yl)(4-(trifluoromethyl)pyridin-2-yl)methanone (CORT125134): A Selective Glucocorticoid Receptor (GR) Antagonist.

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, Cytochrome P450 3A5 (CYP3A5), and Glucocorticoid receptor, Uniprot A0A0A7KLD0, C1ID52, F1D8N4, P04150, P05177, P06536, P08684, P10632, P10635, P11712, P20813, P20815, P33261, Q6GRK0, and S5RV20
DOI: 10.7270/q2br8vpn
title: BindingDB Entry 50000946: Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2377c6v
title: BindingDB Entry 50000948: Use of Molecular Modeling to Design Selective NTS2 Neurotensin Analogues.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1 and Neurotensin receptor, Uniprot O95665 and P30989
DOI: 10.7270/q2tq6407
title: BindingDB Entry 50000950: Enantiospecific Recognition at the 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/q2zg6vq5
title: BindingDB Entry 50000949: Exploring Derivatives of Quinazoline Alkaloid l-Vasicine as Cap Groups in the Design and Biological Mechanistic Evaluation of Novel Antitumor Histone Deacetylase Inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 10, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 8, and Histone deacetylase 9, Uniprot O15379, P56524, Q13547, Q6IT96, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2pz5c9z
title: BindingDB Entry 50000951: Indazole-6-phenylcyclopropylcarboxylic Acids as Selective GPR120 Agonists with in Vivo Efficacy.

description: Small molecule binding data for protein Adenosine receptor A2a, Free fatty acid receptor 1, G-protein coupled receptor 120, Omega-3 fatty acid receptor 1, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot A0A140VJR0, P29274, Q08499, Q3V2S5, Q5NUL3, Q76JU9, Q7TMA4, and X5DNB4
DOI: 10.7270/q2fj2k8j
title: BindingDB Entry 50000953: Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase and Mitogen-activated protein kinase 1, Uniprot A4QPA9, P28482, Q02750, and Q1HBJ4
DOI: 10.7270/q29s1thc
title: BindingDB Entry 50000954: Radiolabeled Dibenzodiazepinone-Type Antagonists Give Evidence of Dualsteric Binding at the M

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1 and M3, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2 and M4, and Muscarinic acetylcholine receptor M2 and M5, Uniprot A0A024R3W1, A0A024R9I2, A4D1Q0, P08172, P08173, P08912, P11229, P20309, and Q53XZ3
DOI: 10.7270/q2k93b08
title: BindingDB Entry 50000952: Addressing Structural Flexibility at the A-Ring on Salvinorin A: Discovery of a Potent Kappa-Opioid Agonist with Enhanced Metabolic Stability.

description: Small molecule binding data for protein Kappa-type opioid receptor, Uniprot P41145
DOI: 10.7270/q26112sb
title: BindingDB Entry 50000955: Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.

description: Small molecule binding data for protein Kynurenine 3-monooxygenase, Uniprot A0A5E7A9K8, O15229, O88867, and Q84HF5
DOI: 10.7270/q2280b21
title: BindingDB Entry 50000956: Inhibitors of 15-Prostaglandin Dehydrogenase To Potentiate Tissue Repair.

description: Small molecule binding data for protein 15-hydroxyprostaglandin dehydrogenase [NAD+], Adenosine receptor A1/Alpha-2A adrenergic receptor, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, and Cytochrome P450 2D6, Uniprot C1ID52, P08913, P10632, P10635, P11712, P15428, P20813, P33261, and S5RV20
DOI: 10.7270/q2sq92vf
title: BindingDB Entry 50000958: Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.

description: Small molecule binding data for protein DNA Gyrase and DNA topoisomerase II, Uniprot A0A068A4Y4, P0A0K8, P11388, and P20831
DOI: 10.7270/q2xg9tks
title: BindingDB Entry 50000957: Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.

description: Small molecule binding data for protein Bromodomain and PHD finger-containing protein 3, Bromodomain-containing protein 1, Bromodomain-containing protein 4, CREB-binding protein, Peregrin, Transcription initiation factor TFIID subunit 1, and Transcription initiation factor TFIID subunit 1-like, Uniprot A0A024R4W4, O60885, O95696, P21675, P55201, Q8IZX4, Q92793, and Q9ULD4
DOI: 10.7270/q2dj5j3q
title: BindingDB Entry 50000962: Transforming Sphingosine Kinase 1 Inhibitors into Dual and Sphingosine Kinase 2 Selective Inhibitors: Design, Synthesis, and in Vivo Activity.

description: Small molecule binding data for protein Sphingosine kinase 1, Sphingosine kinase 1 (SPHK1), Sphingosine kinase 2 (SPHK2), and Sphingosine kinase types 2 (SphK2), Uniprot A0A024QZH5, Q53ZR5, Q58E38, Q8CI15, Q9JIA7, Q9NRA0, and Q9NYA1
DOI: 10.7270/q2j968vg
title: BindingDB Entry 50000961: First Dual Inhibitors of Steroid Sulfatase (STS) and 17β-Hydroxysteroid Dehydrogenase Type 1 (17β-HSD1): Designed Multiple Ligands as Novel Potential Therapeutics for Estrogen-Dependent Diseases.

description: Small molecule binding data for protein Estradiol 17-beta-dehydrogenase 1, Estradiol 17-beta-dehydrogenase 2, and Steryl-sulfatase, Uniprot P08842, P14061, and P37059
DOI: 10.7270/q2p271k6
title: BindingDB Entry 50000959: Synthesis and Characterization of Tetrahydropyran-Based Bacterial Topoisomerase Inhibitors with Antibacterial Activity against Gram-Negative Bacteria.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Uniprot P40989
DOI: 10.7270/q28s4sc0
title: BindingDB Entry 50000963: Design, Synthesis, and Biological Evaluation of Dimorpholine Substituted Thienopyrimidines as Potential Class I PI3K/mTOR Dual Inhibitors.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphoinositide 3-Kinase (PI3K), delta, and p110α/p85α, Uniprot A0A024R720, A0A2K8FKV1, A0A2X0SFG1, O00329, P27986, P42336, P42338, P42345, and P48736
DOI: 10.7270/q21838zp
title: BindingDB Entry 50000965: Topical Intestinal Aminoimidazole Agonists of G-Protein-Coupled Bile Acid Receptor 1 Promote Glucagon Like Peptide-1 Secretion and Improve Glucose Tolerance.

description: Small molecule binding data for protein G-protein coupled bile acid receptor 1, Uniprot Q14AA9, Q80SS6, and Q8TDU6
DOI: 10.7270/q25141pd
title: BindingDB Entry 50000964: Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fib

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Uniprot P40989, Q13822, Q64610, and Q9R1E6
DOI: 10.7270/q2wh2sgd
title: BindingDB Entry 50000966: Slow but Steady Wins the Race: Dissimilarities among New Dual Inhibitors of the Wild-Type and the V27A Mutant M2 Channels of Influenza A Virus.

description: Small molecule binding data for protein Matrix protein 2, Uniprot P0DOF5
DOI: 10.7270/q2n300fc
title: BindingDB Entry 50000968: Discovery of a Novel Class of Survival Motor Neuron 2 Splicing Modifiers for the Treatment of Spinal Muscular Atrophy.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot C1ID52, P08684, P10635, P11712, Q6GRK0, and S5RV20
DOI: 10.7270/q2rv0r5d
title: BindingDB Entry 50000967: Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.

description: Small molecule binding data for protein Nitric oxide synthase, brain, Nitric oxide synthase, endothelial, Nitric oxide synthase, inducible, and Nitric-oxide synthase, brain, Uniprot B3VK56, P29474, P29475, P29476, and P29477
DOI: 10.7270/q27s7r7m
title: BindingDB Entry 50000971: Design of Novel Exendin-Based Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists.

description: Small molecule binding data for protein Glucagon receptor and Glucagon-like peptide 1 receptor, Uniprot O35659, P43220, P47871, and Q61606
DOI: 10.7270/q2cj8gzx
title: BindingDB Entry 50000970: Exploring the Role of N

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2a and A3, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P28647, P29274, P29275, P30542, and X5DNB4
DOI: 10.7270/q2h997pn
title: BindingDB Entry 50000969: Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.

description: Small molecule binding data for protein Serine/threonine-protein kinase pim-1, Serine/threonine-protein kinase pim-2, and Serine/threonine-protein kinase pim-3, Uniprot A0A024QYW7, A0A024RD25, P11309, Q86V86, and Q9P1W9