cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2zp48m3
title: BindingDB Entry 50001134: Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Indoleamine 2,3-dioxygenase, Indoleamine 2,3-dioxygenase 1, and Tryptophan 2,3-dioxygenase, Uniprot A0A348GSI3, A1LUE4, C1ID52, P05177, P08684, P10635, P11712, P14902, P28776, P33261, P48775, Q6GRK0, Q9UNQ0, and S5RV20
DOI: 10.7270/q2fr003k
title: BindingDB Entry 50001140: Discovery of 4-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrazole-3-carboxamide (FN-1501), an FLT3- and CDK-Kinase Inhibitor with Potentially High Efficiency against Acute Myelocytic Leukemia.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, CDK1/Cyclin E, CDK2/Cyclin A1, Cyclin-Dependent Kinase 4 (CDK4), Cyclin-K, Cyclin-dependent kinase 6/G1/S-specific cyclin D1, Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor 1, and Vascular endothelial growth factor receptor 2, Uniprot A0A024R6K1, A0A024RB77, A0A024RBB6, L7RSL3, O75909, P06493, P11802, P17948, P24385, P24864, P24941, P35968, P36888, P78396, Q00534, Q6FI00, and Q9UM73
DOI: 10.7270/q2kh0qth
title: BindingDB Entry 50001138: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot C1ID52, P08684, P10632, P10635, P11712, P33261, P61073, P70658, Q6GRK0, and S5RV20
DOI: 10.7270/q29z97c9
title: BindingDB Entry 50001141: Synthesis and biological evaluation of 6-hydroxyl C-aryl glucoside derivatives as novel sodium glucose co-transporter 2 (SGLT2) inhibitors.

description: Small molecule binding data for protein Sodium/glucose cotransporter 2 (SGLT2), Uniprot P31639
DOI: 10.7270/q2668gpb
title: BindingDB Entry 50001142: TBA

description: Small molecule binding data for protein Neuronal acetylcholine receptor Alpha-3/Beta-4, Neuronal acetylcholine receptor Alpha-4/Beta-2, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit, Neuronal acetylcholine receptor protein alpha-7 subunit, and Nicotinic acetylcholine receptor alpha-4/beta-2, Uniprot P04757, P09483, P12390, P12392, P17787, P36544, P43681, Q3USV2, Q5SXY3, Q8R493, and Q9ERK7
DOI: 10.7270/q22f7qzm
title: BindingDB Entry 50001143: The Discovery of N-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-((6- ((methylamino)methyl)pyrimidin-4-yl)oxy)-1H-indole-1-carboxamide (Acrizanib), a VEGFR-2 Inhibitor Specifically Designed for Topical Ocular Delivery, as a Therapy for Neovascular Age-Related Macular Degeneration.

description: Small molecule binding data for protein Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor alpha, Proto-oncogene tyrosine-protein kinase receptor Ret, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Lyn, and Vascular endothelial growth factor receptor 2, Uniprot A0A024R7T2, A0A024R8E2, P00519, P07948, P07949, P10721, P16234, and P35968
DOI: 10.7270/q2xs5xv6
title: BindingDB Entry 50001144: Selective Inhibitors of Human Neuraminidase 3.

description: Small molecule binding data for protein Sialidase 1, Sialidase 2, Sialidase 3, and Sialidase 4, Uniprot B3KR54, Q5JQI0, Q8WWR8, Q99519, Q9UQ49, and Q9Y3R4
DOI: 10.7270/q2p84fcd
title: BindingDB Entry 50001146: Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.

description: Small molecule binding data for protein Heat shock protein 90 beta and Heat shock protein HSP 90-alpha, Uniprot K9JA46, P07900, and P41148
DOI: 10.7270/q2t1564k
title: BindingDB Entry 50001145: Design, Synthesis, and Biological Activity of New N-(Phenylmethyl)-benzoxazol-2-thiones as Macrophage Migration Inhibitory Factor (MIF) Antagonists: Efficacies in Experimental Pulmonary Hypertension.

description: Small molecule binding data for protein Macrophage migration inhibitory factor (MIF), Uniprot I4AY87 and P14174
DOI: 10.7270/q2jh3pnp
title: BindingDB Entry 50001147: Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 7 and Tyrosine-protein kinase receptor FLT3, Uniprot O43318 and P36888
DOI: 10.7270/q2902687
title: BindingDB Entry 50001151: Polyketides and Anthranilic Acid Possessing 6-Deoxy-α-l-talopyranose from a Streptomyces Species.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Uniprot A0A348GSI3 and P14902
DOI: 10.7270/q2dr2xzd
title: BindingDB Entry 50001150: Sesquiterpene Quinones/Hydroquinones from the Marine Sponge Spongia pertusa Esper.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Uniprot A0A024RB77 and P24941
DOI: 10.7270/q2571fh2
title: BindingDB Entry 50001152: α-Glucosidase Inhibitors from Salvia circinata.

description: Small molecule binding data for protein Alpha-glucosidase, Uniprot A0A173Z7B1
DOI: 10.7270/q21j9d8d
title: BindingDB Entry 50001154: Design and synthesis of potent HIV-1 protease inhibitors with (S)-tetrahydrofuran-tertiary amine-acetamide as P2-ligand: Structure-activity studies and biological evaluation.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2ws8wr8
title: BindingDB Entry 50001155: Tricyclic Polyprenylated Acylphloroglucinols from St John's Wort, Hypericum perforatum.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P22303
DOI: 10.7270/q2s18506
title: BindingDB Entry 50001156: Neomacrophorin X, a [4.4.3]Propellane-Type Meroterpenoid from Trichoderma sp. 1212-03.

description: Small molecule binding data for protein Proteasome Macropain subunit, Proteasome component C5, and Proteasome subunit beta type-1/beta type-5, Uniprot A0A140VJS6, A0A140VK45, P20618, P28074, and P49721
DOI: 10.7270/q2hh6njr
title: BindingDB Entry 50001158: Tamarixetin 3-O-β-d-Glucopyranoside from Azadirachta indica Leaves: Gastroprotective Role through Inhibition of Matrix Metalloproteinase-9 Activity in Mice.

description: Small molecule binding data for protein Matrix metalloproteinase-9, Uniprot P14780
DOI: 10.7270/q2n87d8g
title: BindingDB Entry 50001157: Manzamine Alkaloids from an Acanthostrongylophora sp. Sponge.

description: Small molecule binding data for protein Sortase A (SrtA), Uniprot Q9S446
DOI: 10.7270/q2833vhb
title: BindingDB Entry 50001160: Design, synthesis and evaluation of aromatic heterocyclic derivatives as potent antifungal agents.

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/q2cr5wvg
title: BindingDB Entry 50001159: Chemical Approaches to Intervening in Ubiquitin Specific Protease 7 (USP7) Function for Oncology and Immune Oncology Therapies.

description: Small molecule binding data for protein Caspase-3, Ubiquitin C-terminal Hydrolase L3 (UCH-L3), Ubiquitin carboxyl-terminal hydrolase 2, Ubiquitin carboxyl-terminal hydrolase 47, Ubiquitin carboxyl-terminal hydrolase 5, Ubiquitin carboxyl-terminal hydrolase 7, Ubiquitin carboxyl-terminal hydrolase 8, and Ubiquitin carboxyl-terminal hydrolase isozyme L1, Uniprot A0A024R5S4, A0A140VJZ1, A0A140VJZ4, O75604, P09936, P15374, P40818, P42574, P45974, Q93009, Q96K76, and V9HW74
DOI: 10.7270/q24b33tf
title: BindingDB Entry 50001161: Synthesis of a new series of aryl/heteroarylpiperazinyl derivatives of 8-acetyl-7-hydroxy-4-methylcoumarin with low nanomolar 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, and Serotonin 1 (5-HT1) receptor, Uniprot P08908, P19327, P28223, and Q5ZGX3
DOI: 10.7270/q2vt1vmf
title: BindingDB Entry 50001163: Novel muscarinic acetylcholine receptor hybrid ligands embedding quinuclidine and 1,4-dioxane fragments.

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/q20k2c34
title: BindingDB Entry 50001162: Isosteroidal alkaloids as potent dual-binding site inhibitors of both acetylcholinesterase and butyrylcholinesterase from the bulbs of Fritillaria walujewii.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q2r213wd
title: BindingDB Entry 50001164: Structure-activity relationship study and optimisation of 2-aminopyrrole-1-benzyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile as a broad spectrum metallo-β-lactamase inhibitor.

description: Small molecule binding data for protein Beta-lactamase and Metallo-beta-lactamase AIM-1, Uniprot B5DCA0 and P26918
DOI: 10.7270/q2gh9mg8
title: BindingDB Entry 50001166: Evaluation of the antidepressant therapeutic potential of isocyanine and pseudoisocyanine analogues of the organic cation decynium-22.

description: Small molecule binding data for protein Alpha-1 adrenergic receptor, Uniprot P97714, P97717, and P97718
DOI: 10.7270/q2m90c53
title: BindingDB Entry 50001165: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot A0A024R3D7 and P56817
DOI: 10.7270/q2bv7k3c
title: BindingDB Entry 50001167: Thiophene/thiazole-benzene replacement on guanidine derivatives targetingα

description: Small molecule binding data for protein Adrenergic receptor alpha-2, Uniprot P08913, P18089, P18825, and Q4W594
DOI: 10.7270/q23b62nm
title: BindingDB Entry 50001169: Discovery of novel naphthoquinone derivatives as inhibitors of the tumor cell specific M2 isoform of pyruvate kinase.

description: Small molecule binding data for protein Pyruvate kinase (PKM2) and Pyruvate kinase PKLR, Uniprot P14618, P30613, and V9HWB8
DOI: 10.7270/q2736tdd
title: BindingDB Entry 50001168: Developing pyridazine-3-carboxamides to be CB2 agonists: The design, synthesis, structure-activity relationships and docking studies.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot A0A024RAH7, P21554, P34972, and S5TLS4
DOI: 10.7270/q2zk5k5b
title: BindingDB Entry 50001170: Plasma Kallikrein Inhibitors for the Treatment of Retinal Vascular Permeability Associated with Diabetic Retinopathy and Diabetic Macular Edema.

description: Small molecule binding data for protein Plasma kallikrein, Uniprot P03952
DOI: 10.7270/q2tt4tfm
title: BindingDB Entry 50001171: Potential of PI3Kβ Inhibitors in the Treatment of Cancer and Other Diseases.

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 alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Uniprot A0A024R720, A0A2K8FKV1, O00329, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2k93b1q
title: BindingDB Entry 50001173: C

description: Small molecule binding data for protein Beta-secretase 1 and Beta-secretase 2, Uniprot A0A024R3D7, P56817, and Q9Y5Z0
DOI: 10.7270/q2q242qk
title: BindingDB Entry 50001172: Inhibitors of CD73 May Provide a Treatment for Cancer and Autoimmune Diseases.

description: Small molecule binding data for protein 5'-nucleotidase, Uniprot P21589
DOI: 10.7270/q2639s7k
title: BindingDB Entry 50001176: Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.

description: Small molecule binding data for protein Ephrin type-A receptor 7, High affinity nerve growth factor receptor, JNK2/JNK3, Macrophage colony-stimulating factor 1 receptor, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase kinase kinase 10, Mitogen-activated protein kinase kinase kinase 11, Mitogen-activated protein kinase kinase kinase 12, Mitogen-activated protein kinase kinase kinase 13, Mitogen-activated protein kinase kinase kinase 9, Myotonin-protein kinase, Serine/threonine-protein kinase 16, Serine/threonine-protein kinase PAK 4, Tyrosine-protein kinase receptor FLT3, Tyrosine-protein kinase receptor UFO, and c-Jun N-terminal kinase, JNK, Uniprot A0A024R0J1, A0A024R5E6, A0A024RAY5, E5KR06, O43283, O75716, O96013, P04629, P07333, P30530, P36888, P45983, P45984, P53779, P80192, Q02779, Q09013, Q12852, Q15375, Q16584, and Q60700
DOI: 10.7270/q29w0j00
title: BindingDB Entry 50001175: Structure-Guided Design and Initial Studies of a Bifunctional MEK/PI3K Inhibitor (ST-168).

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1, Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Phosphoinositide 3-Kinase (PI3K), delta, and p110α/p85α, Uniprot A0A024R720, A0A2K8FKV1, A0A2X0SFG1, A4QPA9, O00329, P27986, P31938, P42336, P42338, P48736, Q02750, and Q3TMJ8
DOI: 10.7270/q2fn18pv
title: BindingDB Entry 50001174: -Acylbenzenesulfonamide Dihydro-1,3,4-oxadiazole Hybrids: Seeking Selectivity toward 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/q22b91h7
title: BindingDB Entry 50001177: Targeting Transcriptional Enhanced Associate Domains (TEADs).

description: Small molecule binding data for protein Transcriptional enhancer factor TEF-1 and Transcriptional enhancer factor TEF-3, Uniprot P28347 and Q15561
DOI: 10.7270/q2st7s97
title: BindingDB Entry 50001181: Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives.

description: Small molecule binding data for protein Neuraminidase, Uniprot A5Z252, D5F1R0, P03471, P03474, and Q3S340
DOI: 10.7270/q2xk8j1z
title: BindingDB Entry 50001180: High Mobility Group Box-1 (HMGb1): Current Wisdom and Advancement as a Potential Drug Target.

description: Small molecule binding data for protein High mobility group protein B1 and Toll-like receptor 4/MD-2, Uniprot A0A024RDR0, O00206, P09429, and Q9Y6Y9
DOI: 10.7270/q2dn47kx
title: BindingDB Entry 50001184: UNC-51-like Kinase 1: From an Autophagic Initiator to Multifunctional Drug Target.

description: Small molecule binding data for protein Serine/threonine-protein kinase ULK1 and Serine/threonine-protein kinase ULK2, Uniprot O75385 and Q8IYT8
DOI: 10.7270/q2jd509n
title: BindingDB Entry 50001183: Synthesis and Biological Evaluation of ( E)-4-Hydroxy-3-methylbut-2-enyl Phosphate (HMBP) Aryloxy Triester Phosphoramidate Prodrugs as Activators of Vγ9/Vδ2 T-Cell Immune Responses.

description: Small molecule binding data for protein Butyrophilin subfamily 3 member A1, Uniprot O00481
DOI: 10.7270/q2p271mn
title: BindingDB Entry 50001182: High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction.

description: Small molecule binding data for protein DCN1-like protein 1, Uniprot Q96GG9
DOI: 10.7270/q2542r3r
title: BindingDB Entry 50001186: Discovery and optimization of piperazine-1-thiourea-based human phosphoglycerate dehydrogenase inhibitors.

description: Small molecule binding data for protein D-3-phosphoglycerate dehydrogenase, Uniprot O43175
DOI: 10.7270/q21c20cd
title: BindingDB Entry 50001187: Synthesis and Evaluation of the First Fluorescent Antagonists of the Human P2Y

description: Small molecule binding data for protein Purinergic receptor P2Y2, Uniprot P41231
DOI: 10.7270/q28w3gtr
title: BindingDB Entry 50001185: A combination of

description: Small molecule binding data for protein Mitogen-activated protein kinase 1, Uniprot P28482 and Q1HBJ4
DOI: 10.7270/q2n58pvr
title: BindingDB Entry 50001190: Synthesis, biological evaluation, and molecular docking investigation of benzhydrol- and indole-based dual PPAR-γ/FFAR1 agonists.

description: Small molecule binding data for protein Free fatty acid receptor 1 and Peroxisome proliferator-activated receptor, Uniprot O14842 and P37231
DOI: 10.7270/q2rv0r6v
title: BindingDB Entry 50001189: Building bridges for highly selective, potent and stable oxytocin and vasopressin analogs.

description: Small molecule binding data for protein Oxytocin receptor, Vasopressin V1a receptor, Vasopressin V1b receptor, and Vasopressin receptor, Uniprot B2R9L7, P30518, P30559, P37288, P47901, and X5D2B0
DOI: 10.7270/q2wm1gwq
title: BindingDB Entry 50001188: Lipophilic Efficiency as an Important Metric in Drug Design.

description: Small molecule binding data for protein ALK tyrosine kinase receptor and Aldose reductase, Uniprot A0A024R7A8, P15121, and Q9UM73
DOI: 10.7270/q2hd7z5w
title: BindingDB Entry 50001191: Development of novel pyridazinone-based adenosine receptor ligands.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P30542, and X5DNB4
DOI: 10.7270/q27w6fpc
title: BindingDB Entry 50001193: Identification and biological evaluation of thiazole-based inverse agonists of RORγt.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A3, Adrenergic receptor, Adrenergic receptor alpha-2, Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor, Angiotensin II receptor, Bradykinin B2 receptor, C-C chemokine receptor type 1, C-X-C chemokine receptor type 2, Cholecystokinin receptor, D(2) dopamine receptor, Delta-type opioid receptor, Dopamine D1 and D2 receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Endothelin-1 receptor, Galanin receptor 2, Histamine H1 receptor, Histamine H2 receptor, Kappa-type opioid receptor, Melanocortin receptor 4, Melatonin receptor, Mu-type opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1 and M3, Muscarinic acetylcholine receptor M2 and M5, Neurokinin 2 receptor, Neuromedin-K receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Nociceptin receptor, Nuclear receptor ROR-beta, Nuclear receptor ROR-gamma (RORC), Serotonin (5-HT) receptor, Serotonin 1B/1D receptor, Serotonin 3 (5-HT3) receptor, Small conductance calcium-activated potassium channel, Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, Sodium-dependent serotonin transporter, Somatostatin receptor, VIPR1, and Vasopressin V1a receptor, Uniprot A0A024R3C5, A0A024R3W1, A0A024R6T9, A0A1L4FMK7, A4D1Q0, A4D2N2, O08858, O43603, P08172, P08588, P08908, P0DMS8, P11229, P14416, P15823, P19328, P20309, P21452, P21728, P22086, P23944, P23975, P25021, P25025, P25101, P25929, P28223, P28564, P29274, P29371, P30411, P30542, P30556, P30873, P30875, P30935, P30989, P31645, P32238, P32241, P32245, P32246, P34969, P35367, P35372, P37288, P41143, P41145, P41146, P41595, P43140, P46098, P47898, P48039, P49146, P49660, P50406, P51449, P70604, P70605, P70606, Q01959, Q53PC4, Q53XZ3, Q53YY0, Q543T0, Q5U003, Q5ZGX3, Q6I9R9, Q92753, X5D2B0, and X5DNB4
DOI: 10.7270/q2cn76d3
title: BindingDB Entry 50001192: Identification of a novel selective small-molecule inhibitor of protein arginine methyltransferase 5 (PRMT5) by virtual screening, resynthesis and biological evaluations.

description: Small molecule binding data for protein Histone-arginine methyltransferase CARM1, PRMT5/MEP50 Enzyme, and Protein arginine N-methyltransferase 1, Uniprot A0A024R0H7, O14744, Q86X55, Q99873, and Q9BQA1
DOI: 10.7270/q20c4z7n
title: BindingDB Entry 50001195: Quinone skeleton as a new class of irreversible inhibitors against Staphylococcus aureus sortase A.

description: Small molecule binding data for protein Sortase A (SrtA), Uniprot Q9S446
DOI: 10.7270/q2445pzz
title: BindingDB Entry 50001194: Optimization of dipeptidic inhibitors of cathepsin L for improved Toxoplasma gondii selectivity and CNS permeability.

description: Small molecule binding data for protein Cathepsin (L and K) and Cathepsin L, Uniprot A0A024R276, P07711, and Q6DMN0
DOI: 10.7270/q2vm4frb
title: BindingDB Entry 50001196: MK-8325: A silyl proline-containing NS5A inhibitor with pan-genotype activity for treatment of HCV.

description: Small molecule binding data for protein Nonstructural protein 5A, Uniprot Q5L478
DOI: 10.7270/q2gf0x0m
title: BindingDB Entry 50001200: Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.

description: Small molecule binding data for protein PKC alpha and beta-2, RAC-alpha serine/threonine-protein kinase AKT1, Rho-associated protein kinase 2, Ribosomal protein S6 kinase (P70S6K), and Ribosomal protein S6 kinase alpha 1, Uniprot A0A2P9DU05, B0LPE5, O75116, P05771, P23443, P31749, and Q15418
DOI: 10.7270/q2m61nrc
title: BindingDB Entry 50001199: Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-β-lactamases.

description: Small molecule binding data for protein Beta-lactamase and Metallo-beta-lactamase type 2, Uniprot A0A150BX49, P04190, and P26918
DOI: 10.7270/q2qz2dfb
title: BindingDB Entry 50001198: An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model.

description: Small molecule binding data for protein Aurora kinase A/Targeting protein for Xklp2, CaM-kinase kinase beta, Calcium/calmodulin-dependent protein kinase kinase 2, Discoidin domain-containing receptor 2, Glycogen synthase kinase-3 beta, Inhibitor of nuclear factor kappa-B kinase subunit alpha, Insulin receptor, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, and c-Jun N-terminal kinase, JNK, Uniprot A0A024R720, A0A024R906, A0A024RBQ0, O14965, O15111, P06213, P45983, P48736, P49841, Q16832, Q6FI27, Q8C078, and Q96RR4
DOI: 10.7270/q26w9dj0
title: BindingDB Entry 50001202: Design, synthesis, and evaluation of novel N-1 fluoroquinolone derivatives: Probing for binding contact with the active site tyrosine of gyrase.

description: Small molecule binding data for protein DNA Gyrase, Uniprot P0AES4 and P0AES6
DOI: 10.7270/q2bp0588
title: BindingDB Entry 50001201: Evaluation of novel TGR5 agonist in combination with Sitagliptin for possible treatment of type 2 diabetes.

description: Small molecule binding data for protein G-protein coupled bile acid receptor 1, Uniprot Q8TDU6
DOI: 10.7270/q2348nv1
title: BindingDB Entry 50001203: Optimized allosteric inhibition of engineered protein tyrosine phosphatases with an expanded palette of biarsenical small molecules.

description: Small molecule binding data for protein Hematopoietic protein-tyrosine phosphatase (HEPTP) and Protein-tyrosine phosphatase 1B, Uniprot A1MKQ8, A8K3M3, P18031, and P35236