cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2f47r4k
title: BindingDB Entry 50047884: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction.

description: Small molecule binding data for protein MLL and WD repeat-containing protein 5 (WDR5), Uniprot P61964, Q03164, Q15291, and Q9UBL3
DOI: 10.7270/q2fb54td
title: BindingDB Entry 50046856: Flat SAR of P3-methylsulphonamide based small molecule legumain inhibitors.

description: Small molecule binding data for protein Legumain, Uniprot Q99538
DOI: 10.7270/q2j9683m
title: BindingDB Entry 50045830: Identification of indole inhibitors of human hematopoietic prostaglandin D2 synthase (hH-PGDS).

description: Small molecule binding data for protein Prostaglandin D Synthase, Uniprot O60760
DOI: 10.7270/q2k35wh9
title: BindingDB Entry 50046855: Design, synthesis and biological evaluation of pyrazolyl-nitroimidazole derivatives as potential EGFR/HER-2 kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Uniprot P00533 and P04626
DOI: 10.7270/q2n87cqw
title: BindingDB Entry 50047385: Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.

description: Small molecule binding data for protein GRIA2, Glutamate [NMDA] receptor subunit epsilon 1/zeta 1, Ionotropic glutamate receptor NMDA 1/2C, and Ionotropic glutamate receptor NMDA 1/2D, Uniprot O15399, P42262, Q05586, Q12879, and Q14957
DOI: 10.7270/q2nz89bd
title: BindingDB Entry 50045829: Hydroxy tricyclic 1,5-naphthyridinone oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents-SAR of RHS moiety (Part-3).

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2s184d5
title: BindingDB Entry 50047384: Single Residue Substitutions That Confer Voltage-Gated Sodium Ion Channel Subtype Selectivity in the NaV1.7 Inhibitory Peptide GpTx-1.

description: Small molecule binding data for protein Sodium channel alpha subunit, Voltage-gated sodium channel subunit Nav1.5, and Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4), Uniprot P35499, Q14524, and Q15858
DOI: 10.7270/q2sq9224
title: BindingDB Entry 50045828: Separation and peroxisome proliferator-activated receptor-¿ agonist activity evaluation of synthetic racemic bavachinin enantiomers.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q2tb18vd
title: BindingDB Entry 50047881: Design, Synthesis, and Biological Evaluation of Novel Tetrahydroprotoberberine Derivatives (THPBs) as Selectivea

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Adrenergic alpha1B, Alpha adrenergic receptor 1A and 1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P15823, P25100, P35348, P35368, P40989, and P43140
DOI: 10.7270/q2th8ph8
title: BindingDB Entry 50046853: Pivotal role of glycogen synthase kinase-3: A therapeutic target for Alzheimer's disease.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49840 and P49841
DOI: 10.7270/q2wq05pz
title: BindingDB Entry 50047383: Purine (N)-Methanocarba Nucleoside Derivatives Lacking an Exocyclic Amine as Selective A3 Adenosine Receptor Agonists.

description: Small molecule binding data for protein Adenosine A3 receptor, Adenosine receptor A1, Delta-type opioid receptor, and Transmembrane domain-containing protein TMIGD3, Uniprot P0DMS9, P30542, P41143, and Q61618
DOI: 10.7270/q2x350fr
title: BindingDB Entry 50047888: Discovery of ONO-7300243 from a Novel Class of Lysophosphatidic Acid Receptor 1 Antagonists: From Hit to Lead.

description: Small molecule binding data for protein Lysophosphatidic acid receptor 1 (LPAR1), Lysophosphatidic acid receptor 3 (LPAR3), and Lysophosphatidic acid receptor Edg-4, Uniprot Q92633, Q9HBW0, and Q9UBY5
DOI: 10.7270/q20g3n2b
title: BindingDB Entry 50047390: Discovery of 5-Chloro-1-(5-chloro-2-(methylsulfonyl)benzyl)-2-imino-1,2-dihydropyridine-3-carboxamide (TAK-259) as a Novel, Selective, and Orally Activea1D Adrenoceptor Antagonist with Antiurinary Frequency Effects: Reducing Human Ether-a-go-go-Related Gene (hERG) Liabilities.

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/q218386t
title: BindingDB Entry 50045834: Sesquiterpenoid tropolone glycosides from Liriosma ovata.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q21n82w0
title: BindingDB Entry 50046355: Ionic derivatives of betulinic acid exhibit antiviral activity against herpes simplex virus type-2 (HSV-2), but not HIV-1 reverse transcriptase.

description: Small molecule binding data for protein Serum albumin, Uniprot P02768
DOI: 10.7270/q21v5gxb
title: BindingDB Entry 50047887: TBA

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2 and P-glycoprotein 1, Uniprot P08183 and Q9UNQ0
DOI: 10.7270/q2222wmh
title: BindingDB Entry 50046859: Discovery of highly potent and selective Bruton's tyrosine kinase inhibitors: Pyridazinone analogs with improved metabolic stability.

description: Small molecule binding data for protein Maternal embryonic leucine zipper kinase, SRC, Tyrosine-protein kinase BMX, Tyrosine-protein kinase BTK, Tyrosine-protein kinase TEC, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P09769, P12931, P35991, P42680, P51813, Q06187, and Q14680
DOI: 10.7270/q25t3nbx
title: BindingDB Entry 50046858: Synthesis, in vitro antitumor activity, dihydrofolate reductase inhibition, DNA intercalation and structure-activity relationship studies of 1,3,5-triazine analogues.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00374
DOI: 10.7270/q28054hc
title: BindingDB Entry 50047388: Structure-Based Design and Synthesis of Novel Inhibitors Targeting HDAC8 from Schistosoma mansoni for the Treatment of Schistosomiasis.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 8, Uniprot A0A024QZ26, Q13547, Q9BY41, and Q9UBN7
DOI: 10.7270/q2cr5w8v
title: BindingDB Entry 50047387: Structure-Based Design of an Iminoheterocyclicß-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central Aß in Nonhuman Primates.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Beta-secretase 1, Cytochrome P450 3A, Histamine H2 receptor, and Motilin receptor, Uniprot O43193, P08684, P25021, P40989, and P56817
DOI: 10.7270/q2cz38zp
title: BindingDB Entry 50046360: Design, Synthesis, and Biological Evaluation of a Series of Anthracene-9,10-dione Dioximeß-Catenin Pathway Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2C9, Uniprot P11712
DOI: 10.7270/q2d50pxf
title: BindingDB Entry 50047892: Depsidones from Lichens as Natural Product Inhibitors of M-Phase Phosphoprotein 1, a Human Kinesin Required for Cytokinesis.

description: Small molecule binding data for protein Centromere-associated protein E and Kinesin-like protein KIF20B, Uniprot Q02224
DOI: 10.7270/q2dj5hcw
title: BindingDB Entry 50045831: Compounds from the insect Blaps japanensis with COX-1 and COX-2 inhibitory activities.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2hh6n0k
title: BindingDB Entry 50047386: Potent and Selective Agonists of Sphingosine 1-Phosphate 1 (S1P1): Discovery and SAR of a Novel Isoxazole Based Series.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot P05177, P08684, P10632, P10635, P11712, P20813, P21453, P33261, P40989, and Q99500
DOI: 10.7270/q2hq41qv
title: BindingDB Entry 50046359: Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Baculoviral IAP repeat-containing protein 2, Cytochrome P450 3A, E3 ubiquitin-protein ligase Mdm2, Induced myeloid leukemia cell differentiation protein Mcl-1, Voltage-gated potassium channel, X-linked inhibitor of apoptosis protein (XIAP), and p53-Binding Protein HDMX, Uniprot O15151, P08684, P10415, P23804, P56950, P98170, Q00987, Q07820, Q12809, and Q13490
DOI: 10.7270/q2hx1fnv
title: BindingDB Entry 50047891: New cinnamic - N-benzylpiperidine and cinnamic - N,N-dibenzyl(N-methyl)amine hybrids as Alzheimer-directed multitarget drugs with antioxidant, cholinergic, neuroprotective and neurogenic properties.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Cholinesterase, Uniprot P06276, P21397, P22303, and P27338
DOI: 10.7270/q2j38vft
title: BindingDB Entry 50046863: Synthesis, cyclooxygenase inhibition, anti-inflammatory evaluation and ulcerogenic liability of new 1,3,5-triarylpyrazoline and 1,5-diarylpyrazole derivatives as selective COX-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2ng4sdr
title: BindingDB Entry 50046358: Discovery of Novel Indazole Derivatives as Highly Potent and Selective Humanß3-Adrenergic Receptor Agonists with the Possibility of Having No Cardiovascular Side Effects.

description: Small molecule binding data for protein Adrenergic alpha1B, Adrenergic receptor beta, Alpha-1A adrenergic receptor, Alpha-1D adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Beta-3 adrenergic receptor, Uniprot P07550, P08588, P08913, P13945, P18089, P18825, P25100, P26255, P35348, P35368, and Q4W594
DOI: 10.7270/q2np26ck
title: BindingDB Entry 50047890: Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.

description: Small molecule binding data for protein Beta-lactamase
DOI: 10.7270/q2nv9m3b
title: BindingDB Entry 50046862: Chlorophenoxy aminoalkyl derivatives as histamine H(3)R ligands and antiseizure agents.

description: Small molecule binding data for protein Histamine receptor (H3), Uniprot Q9Y5N1
DOI: 10.7270/q2rr2106
title: BindingDB Entry 50045836: Progress in Discovery of KIF5B-RET Kinase Inhibitors for the Treatment of Non-Small-Cell Lung Cancer.

description: Small molecule binding data for protein Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Uniprot P07949
DOI: 10.7270/q2s46tr6
title: BindingDB Entry 50046357: Initial optimization and series evolution of diaminopyrimidine inhibitors of interleukin-1 receptor associated kinase 4.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Interleukin-1 receptor-associated kinase 4, and Tumor necrosis factor receptor R1, Uniprot P08684, P10635, P11712, P19438, and Q9NWZ3
DOI: 10.7270/q2sf2z3x
title: BindingDB Entry 50047889: Discovery of TAK-272: A Novel, Potent, and Orally Active Renin Inhibitor.

description: Small molecule binding data for protein Cathepsin D and Renin, Uniprot P00797 and P07339
DOI: 10.7270/q2sj1ngs
title: BindingDB Entry 50046861: Preliminary investigation of 6,7-dihydropyrazolo[1,5-a]pyrazin-4-one derivatives as a novel series of mGlu5 receptor positive allosteric modulators with efficacy in preclinical models of schizophrenia.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, GRM7, GRM8, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 5, Metabotropic glutamate receptor 6 (mGlu6), and metabotropic glutamate 1c, Uniprot O00222, P35349, P40989, P41594, Q13255, Q14416, Q14831, Q14832, and Q14833
DOI: 10.7270/q2vt1v0c
title: BindingDB Entry 50047391: Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Myeloid/lymphoid or mixed-lineage leukemia (MLL), Tyrosine-protein kinase receptor FLT3, and WD repeat-containing protein 5 (WDR5), Uniprot P35916, P36888, P61964, and Q03164
DOI: 10.7270/q2wh2rq4
title: BindingDB Entry 50045835: Specificity and inhibitory mechanism of andrographolide and its analogues as antiasthma agents on NF-¿B p50.

description: Small molecule binding data for protein Nuclear factor NF-kappa-B (NF-kB), Uniprot P19838
DOI: 10.7270/q2ww7kf5
title: BindingDB Entry 50046356: Verruculides A and B, two new protein tyrosine phosphatase 1B inhibitors from an Indonesian ascidian-derived Penicillium verruculosum.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2x92d4m
title: BindingDB Entry 50046860: Preparation and optimization of pyrazolo[1,5-a]pyrimidines as new potent PDE4 inhibitors.

description: Small molecule binding data for protein Phosphodiesterase 3 (PDE3), Phosphodiesterase 4, and cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot P27815, Q07343, Q08493, Q08499, and Q14432
DOI: 10.7270/q2086710
title: BindingDB Entry 50045842: Structure-activity studies in the development of a hydrazone based inhibitor of adipose-triglyceride lipase (ATGL).

description: Small molecule binding data for protein Patatin-like phospholipase domain-containing protein 2, Uniprot Q8BJ56
DOI: 10.7270/q20p11sm
title: BindingDB Entry 50046363: Synthesis, kinetic mechanism and docking studies of vanillin derivatives as inhibitors of mushroom tyrosinase.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q20v8frh
title: BindingDB Entry 50047895: Sesquiterpene Hydroquinones with Protein Tyrosine Phosphatase 1B Inhibitory Activities from a Dysidea sp. Marine Sponge Collected in Okinawa.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2125vg4
title: BindingDB Entry 50046867: Discovery of potent and orally bioavailable inhibitors of Human Uric Acid Transporter 1 (hURAT1) and binding mode prediction using homology model.

description: Small molecule binding data for protein Uric Acid Transporter 1 (URAT1), Uniprot Q96S37
DOI: 10.7270/q2416zrx
title: BindingDB Entry 50045841: General role of the amino and methylsulfamoyl groups in selective cyclooxygenase(COX)-1 inhibition by 1,4-diaryl-1,2,3-triazoles and validation of a predictive pharmacometric PLS model.

description: Small molecule binding data for protein Cyclooxygenase, Cyclooxygenase-1 (COX-1), Prostaglandin G/H synthase (Cyclooxygenase-2), and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979, P23219, P35354, and P79208
DOI: 10.7270/q2474cr6
title: BindingDB Entry 50047389: Small Molecule Inhibitors of Cyclophilin D To Protect Mitochondrial Function as a Potential Treatment for Acute Pancreatitis.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase D, Uniprot Q08752
DOI: 10.7270/q24f1shz
title: BindingDB Entry 50046362: Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q24m96g7
title: BindingDB Entry 50047894: Development of Potent and Selective S. aureus Sortase A Inhibitors Based on Peptide Macrocycles.

description: Small molecule binding data for protein Sortase A (SrtA) and Urokinase-type plasminogen activator/surface receptor, Uniprot P00749
DOI: 10.7270/q24t6m6j
title: BindingDB Entry 50046866: Novel compounds reducing IRS-1 serine phosphorylation for treatment of diabetes.

description: Small molecule binding data for protein c-Jun N-terminal kinase, JNK, Uniprot P45983
DOI: 10.7270/q27s7qgb
title: BindingDB Entry 50045840: Niraparib: A Poly(ADP-ribose) Polymerase (PARP) Inhibitor for the Treatment of Tumors with Defective Homologous Recombination.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2862j7p
title: BindingDB Entry 50046361: Chemical synthesis of tetracyclic terpenes and evaluation of antagonistic activity on endothelin-A receptors and voltage-gated calcium channels.

description: Small molecule binding data for protein EDNRA, Uniprot P26684
DOI: 10.7270/q28c9z6k
title: BindingDB Entry 50047893: Identification of noncovalent proteasome inhibitors with high selectivity for chymotrypsin-like activity by a multistep structure-based virtual screening.

description: Small molecule binding data for protein 20S proteasome chymotrypsin-like, Proteasome Macropain subunit, and Proteasome component C5, Uniprot P20618, P28074, and P49721
DOI: 10.7270/q28k7bxv
title: BindingDB Entry 50046865: Fragment-based drug discovery of potent and selective MKK3/6 inhibitors.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 3, Dual specificity mitogen-activated protein kinase kinase 6, and Mitogen-activated protein kinase 14, Uniprot P46734, P52564, Q16539, and Q6FI23
DOI: 10.7270/q2cj8g62
title: BindingDB Entry 50045839: Synthesis and biological evaluation of 3-aminoisoquinolin-1(2H)-one based inhibitors of the dual-specificity phosphatase Cdc25B.

description: Small molecule binding data for protein Dual specificity phosphatase Cdc25B and Protein-tyrosine phosphatase 1B, Uniprot P18031 and P30305
DOI: 10.7270/q2db83qg
title: BindingDB Entry 50046864: Sulfonamide inhibition studies of thea-carbonic anhydrase from the gammaproteobacterium Thiomicrospira crunogena XCL-2, TcruCA.

description: Small molecule binding data for protein Carbonate dehydratase, Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase, alpha family, Uniprot P00915 and P00918
DOI: 10.7270/q2gh9kvs
title: BindingDB Entry 50047394: Transfer of SAR information from hypotensive indazole to indole derivatives acting ata-adrenergic receptors: In vitro and in vivo studies.

description: Small molecule binding data for protein Imidazoline I1, Uniprot Q4G017
DOI: 10.7270/q2h996xc
title: BindingDB Entry 50045838: Development of novel ACK1/TNK2 inhibitors using a fragment-based approach.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Fibroblast growth factor receptor 1, JAK2/TYK2, Proto-oncogene tyrosine-protein kinase ROS, SRC, Serine/threonine-protein kinase Chk1, Tyrosine kinase non-receptor protein 2, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase JAK2, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot O14757, O60674, P00519, P06239, P08922, P11362, P12931, P29597, Q07912, and Q9UM73
DOI: 10.7270/q2m90bk2
title: BindingDB Entry 50047393: Novel S1P1 receptor agonists - Part 5: From amino-to alkoxy-pyridines.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q2mp5576
title: BindingDB Entry 50047898: Structure-Activity Relationship and Signaling of New Chimeric CXCR4 Agonists.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q2n29znq
title: BindingDB Entry 50045837: Discovery of (R)-1-(3-((2-chloro-4-(((2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)amino)methyl)-5-methoxyphenyl)amino)-3-oxopropyl)piperidin-4-yl [1,1'-biphenyl]-2-ylcarbamate (TD-5959, GSK961081, batefenterol): first-in-class dual pharmacology multivalent muscarinic antagonist..

description: Small molecule binding data for protein Beta-2 adrenergic receptor and beta-3 adrenergic receptor and Muscarinic acetylcholine receptor, Uniprot P07550 and P20309
DOI: 10.7270/q2r2139s
title: BindingDB Entry 50047392: An in Vitro and in Vivo Investigation of Bivalent Ligands That Display Preferential Binding and Functional Activity for Different Melanocortin Receptor Homodimers.

description: Small molecule binding data for protein Melanocortin receptor 1, Melanocortin receptor 3, Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P33033, P41149, P56450, and Q01727
DOI: 10.7270/q2rf5x00
title: BindingDB Entry 50047897: Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Ce

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, and Epidermal growth factor receptor, Uniprot P00533, P08684, P10635, and P11712
DOI: 10.7270/q2rn39pt
title: BindingDB Entry 50046869: Highly potent tyrosinase inhibitor, neorauflavane from Campylotropis hirtella and inhibitory mechanism with molecular docking.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q2vh5qkr
title: BindingDB Entry 50045843: Synthesis of hydrolysis-resistant pyridoxal 5'-phosphate analogs and their biochemical and X-ray crystallographic characterization with the pyridoxal phosphatase chronophin.

description: Small molecule binding data for protein Pyridoxal phosphate phosphatase, Uniprot P60487
DOI: 10.7270/q2vx0j9b
title: BindingDB Entry 50046364: Modification of N-(6-(2-methoxy-3-(4-fluorophenylsulfonamido)pyridin-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide as PI3Ks inhibitor by replacement of the acetamide group with alkylurea.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2w66nq9
title: BindingDB Entry 50047896: Design, synthesis and biological characterization of a new class of osteogenic (1H)-quinolone derivatives.

description: Small molecule binding data for protein Smoothened homolog, Uniprot P56726
DOI: 10.7270/q2w95c1p
title: BindingDB Entry 50046868: N-Alkylated arylsulfonamides of (aryloxy)ethyl piperidines: 5-HT(7) receptor selectivity versus multireceptor profile.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P08908, P14416, P28223, and P34969
DOI: 10.7270/q2000425
title: BindingDB Entry 50047903: Design and Synthesis of an Investigational Nonapeptide KISS1 Receptor (KISS1R) Agonist, Ac-d-Tyr-Hydroxyproline (Hyp)-Asn-Thr-Phe-azaGly-Leu-Arg(Me)-Trp-NH

description: Small molecule binding data for protein G-protein Coupled Receptor 54 and KiSS-1 receptor, Uniprot Q924U1 and Q969F8