cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2cz3bzh
title: BindingDB Entry 50014112: Investigation of 3-sulfamoyl coumarins against cancer-related IX and XII isoforms of human carbonic anhydrase as well as cancer cells leads to the discovery of 2-oxo-2H-benzo[h]chromene-3-sulfonamide - A new caspase-activating proapoptotic agent.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2cz3c0c
title: BindingDB Entry 50014464: Exploration of Long-Chain Vitamin E Metabolites for the Discovery of a Highly Potent, Orally Effective, and Metabolically Stable 5-LOX Inhibitor that Limits Inflammation.

description: Small molecule binding data for protein Polyunsaturated fatty acid 5-lipoxygenase, Uniprot P09917
DOI: 10.7270/q2d221p5
title: BindingDB Entry 9337: Condensed lactam derivative

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, and D(2) dopamine receptor, Uniprot P08908, P14416, and P28223
DOI: 10.7270/q2d221qm
title: BindingDB Entry 9724: Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto

description: Small molecule binding data for protein Beta-3 adrenergic receptor, Uniprot P13945
DOI: 10.7270/q2d221r2
title: BindingDB Entry 10111: 1-cyano-pyrrolidine compounds as USP30 inhibitors

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase 30, Uniprot Q70CQ3
DOI: 10.7270/q2d221sh
title: BindingDB Entry 10320: Imidazopyrimidine derivatives

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 11, Uniprot Q06124
DOI: 10.7270/q2d221tz
title: BindingDB Entry 10498: Small molecule inhibitors of galectin-3

description: Small molecule binding data for protein Galectin-3, Uniprot P17931
DOI: 10.7270/q2d221vd
title: BindingDB Entry 10707: Compounds and methods for treating oxalate-related diseases

description: Small molecule binding data for protein 2-Hydroxyacid oxidase 1, Uniprot Q9UJM8
DOI: 10.7270/q2d221wv
title: BindingDB Entry 10885: N-SUBSTITUTED 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)ANILINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION

description: Small molecule binding data for protein External core antigen and Large envelope protein, Uniprot P03138 and P89951
DOI: 10.7270/q2d221x9
title: BindingDB Entry 50006889: Synthesis, anticancer activity, and molecular modeling of 1,4-naphthoquinones that inhibit MKK7 and Cdc25.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 7, M-phase inducer phosphatase 1, M-phase inducer phosphatase 2, and Neutrophil elastase, Uniprot O14733, P08246, P30304, and P30305
DOI: 10.7270/q2d221zr
title: BindingDB Entry 50007498: Discovery of Pyrido[3',2':5,6]thiopyrano[4,3-

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2d2220m
title: BindingDB Entry 50008107: Pyrazolo-benzothiazole hybrids: Synthesis, anticancer properties and evaluation of antiangiogenic activity using in vitro VEGFR-2 kinase and in vivo transgenic zebrafish model.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2d22212
title: BindingDB Entry 50008747: Melanogenic inhibitory effects of Triangularin in B16F0 melanoma cells, in vitro and molecular docking studies.

description: Small molecule binding data for protein Polyphenol oxidase 2 and Tyrosinase, Uniprot O42713 and P11344
DOI: 10.7270/q2d2222h
title: BindingDB Entry 50009076: Five-Membered N-Heterocyclic Scaffolds as Novel Amino Bioisosteres at γ-Aminobutyric Acid (GABA) Type A Receptors and GABA Transporters.

description: Small molecule binding data for protein Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2, Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2, Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2, Gamma-aminobutyric acid receptor subunit rho-1, Sodium- and chloride-dependent GABA transporter 1, Sodium- and chloride-dependent GABA transporter 2, Sodium- and chloride-dependent GABA transporter 3, and Sodium- and chloride-dependent betaine transporter, Uniprot P14867, P18507, P24046, P30531, P31644, P47870, P48065, P48066, P48169, and Q9NSD5
DOI: 10.7270/q2d2223z
title: BindingDB Entry 50009367: Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme.

description: Small molecule binding data for protein Angiotensin-converting enzyme and Neprilysin, Uniprot P07861, P08473, and P12821
DOI: 10.7270/q2d2224d
title: BindingDB Entry 50009705: Small Molecule Inhibitor that Stabilizes the Autoinhibited Conformation of the Oncogenic Tyrosine Phosphatase SHP2.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 11 and Tyrosine-protein phosphatase non-receptor type 6, Uniprot P29350 and Q06124
DOI: 10.7270/q2d2225v
title: BindingDB Entry 50010283: Discovery of 2-(Imidazo[1,2- b]pyridazin-2-yl)acetic Acid as a New Class of Ligands Selective for the γ-Hydroxybutyric Acid (GHB) High-Affinity Binding Sites.

description: Small molecule binding data for protein Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2, Uniprot P14867, P18507, and P47870
DOI: 10.7270/q2d22269
title: BindingDB Entry 50010893: Target-Based Identification and Optimization of 5-Indazol-5-yl Pyridones as Toll-like Receptor 7 and 8 Antagonists Using a Biochemical TLR8 Antagonist Competition Assay.

description: Small molecule binding data for protein Cytochrome P450 3A4, Interleukin-1 receptor type 1, Toll-like receptor 1, Toll-like receptor 2, Toll-like receptor 4, Toll-like receptor 5, Toll-like receptor 7, Toll-like receptor 8, and Toll-like receptor 9, Uniprot O00206, O60602, O60603, P08684, P14778, P58681, Q15399, Q9EQU3, Q9NR96, Q9NR97, and Q9NYK1
DOI: 10.7270/q2d2227r
title: BindingDB Entry 50011526: Reviving B-Factors: Retrospective Normalized B-Factor Analysis of c-ros Oncogene 1 Receptor Tyrosine Kinase and Anaplastic Lymphoma Kinase L1196M with Crizotinib and Lorlatinib.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, HLA class II histocompatibility antigen gamma chain/Proto-oncogene tyrosine-protein kinase ROS, and Proto-oncogene tyrosine-protein kinase ROS/Sodium-dependent phosphate transport protein 2B, Uniprot O95436, P04233, P08922, and Q9UM73
DOI: 10.7270/q2d22286
title: BindingDB Entry 50012144: Discovery of a Remarkable Methyl Shift Effect in the Vanilloid Activity of Triterpene Amides.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q2d2229n
title: BindingDB Entry 50012480: 5-Fluoronicotinamide Derivatives as HDAC6 Inhibitors for Treating Heart Diseases.

description: Small molecule binding data for protein Histone deacetylase 6, Uniprot Q9UBN7
DOI: 10.7270/q2d222b3
title: BindingDB Entry 50012764: Design synthesis and evaluation of novel aldose reductase inhibitors: The case of indolyl-sulfonyl-phenols.

description: Small molecule binding data for protein Aldo-keto reductase family 1 member B1, Uniprot P07943
DOI: 10.7270/q2d222cj
title: BindingDB Entry 50013128: A theranostic probe of indoleamine 2,3-dioxygenase 1 (IDO1) for small molecule cancer immunotherapy.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q2d222d0
title: BindingDB Entry 50013767: Discovery of novel reversible monoacylglycerol lipase inhibitors via docking-based virtual screening.

description: Small molecule binding data for protein Monoglyceride lipase, Uniprot O35678, Q8R431, and Q99685
DOI: 10.7270/q2d222ff
title: BindingDB Entry 50014414: Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics.

description: Small molecule binding data for protein Retinoic acid receptor RXR-alpha, Retinoic acid receptor RXR-beta, and Retinoic acid receptor RXR-gamma, Uniprot P19793, P28702, and P48443
DOI: 10.7270/q2d50r05
title: BindingDB Entry 9128: Selective estrogen receptor degraders

description: Small molecule binding data for protein Estrogen receptor and Estrogen receptor [Y537S], Uniprot P03372
DOI: 10.7270/q2d50r1m
title: BindingDB Entry 9306: Bicyclic compounds as dual ATX/CA inhibitors

description: Small molecule binding data for protein Ataxin-1 and Carbonic anhydrase 2, Uniprot P00918 and P54253
DOI: 10.7270/q2d50r22
title: BindingDB Entry 9515: Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors

description: Small molecule binding data for protein GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049], Uniprot P01116 and Q07889
DOI: 10.7270/q2d50r3h
title: BindingDB Entry 9902: Tetrazole containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 5, Uniprot Q99683
DOI: 10.7270/q2d50r4z
title: BindingDB Entry 10289: Adrenergic receptor modulating compounds and methods of using the same

description: Small molecule binding data for protein Beta-adrenergic receptor kinase 2, Uniprot P35626
DOI: 10.7270/q2d50r5d
title: BindingDB Entry 10676: Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors

description: Small molecule binding data for protein Complement factor D, Uniprot P00746
DOI: 10.7270/q2d50r6v
title: BindingDB Entry 50006848: Discovery of TD-0212, an Orally Active Dual Pharmacology AT

description: Small molecule binding data for protein Amyloid-beta precursor protein, Angiotensin-converting enzyme, Endothelin-converting enzyme 1, Neprilysin, Type-1 angiotensin II receptor, and Type-2 angiotensin II receptor, Uniprot P05067, P08473, P12821, P30556, P42892, and P50052
DOI: 10.7270/q2d50r79
title: BindingDB Entry 50007162: Synthesis and biological evaluation of novel H6 analogues as drug resistance reversal agents.

description: Small molecule binding data for protein ATP-dependent translocase ABCB1, Uniprot P08183
DOI: 10.7270/q2d50r8r
title: BindingDB Entry 50007451: Nicotinamide Phosphoribosyltransferase (NAMPT) Is a New Target of Antitumor Agent Chidamide.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2, and Nicotinamide phosphoribosyltransferase, Uniprot O15379, P43490, Q13547, Q92769, and Q9Y618
DOI: 10.7270/q2d50r96
title: BindingDB Entry 50007777: Discovery and pharmacological evaluation of indole derivatives as potent and selective RORγt inverse agonist for multiple autoimmune conditions.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Nuclear receptor ROR-alpha, and Nuclear receptor ROR-gamma, Uniprot P05177, P08684, P10635, P11712, P33261, P35398, P51449, and P51450
DOI: 10.7270/q2d50rbn
title: BindingDB Entry 50008376: Discovery of Selective Matriptase and Hepsin Serine Protease Inhibitors: Useful Chemical Tools for Cancer Cell Biology.

description: Small molecule binding data for protein Hepatocyte growth factor activator, Serine protease hepsin, and Suppressor of tumorigenicity 14 protein, Uniprot P05981, Q04756, and Q9Y5Y6
DOI: 10.7270/q2d50rc3
title: BindingDB Entry 50009027: Tetrahydro-3-benzazepines with fluorinated side chains as NMDA and σ

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Delta-type opioid receptor, Glutamate receptor ionotropic, NMDA 2B, Kappa-type opioid receptor, Mu-type opioid receptor, Sigma intracellular receptor 2, and Sigma non-opioid intracellular receptor 1, Uniprot P35372, P40989, P41143, P41145, Q13224, Q5U3Y7, and Q60492
DOI: 10.7270/q2d50rdj
title: BindingDB Entry 50009652: High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide

description: Small molecule binding data for protein DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase ASH1L, Histone-lysine N-methyltransferase EHMT1, Histone-lysine N-methyltransferase EHMT2, Histone-lysine N-methyltransferase SETDB1, Histone-lysine N-methyltransferase, H3 lysine-79 specific, Indolethylamine N-methyltransferase, Nicotinamide N-methyltransferase, Protein arginine N-methyltransferase 1, and Thiopurine S-methyltransferase, Uniprot O95050, P40261, P51580, Q15047, Q8TEK3, Q96KQ7, Q99873, Q9H9B1, Q9NR48, and Q9Y6K1
DOI: 10.7270/q2d50rf0
title: BindingDB Entry 50009984: Identification of a New Class of Selective Excitatory Amino Acid Transporter Subtype 1 (EAAT1) Inhibitors Followed by a Structure-Activity Relationship Study.

description: Small molecule binding data for protein Excitatory amino acid transporter 1, Excitatory amino acid transporter 2, and Excitatory amino acid transporter 3, Uniprot P43003, P43004, and P43005
DOI: 10.7270/q2d50rgf
title: BindingDB Entry 50010238: Charting the chemical space around the (iso)indoline scaffold, a comprehensive approach towards multitarget directed ligands.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 6, D(2) dopamine receptor, D(3) dopamine receptor, and Histamine H3 receptor, Uniprot P14416, P35462, P50406, and Q9Y5N1
DOI: 10.7270/q2d50rhw
title: BindingDB Entry 50010545: EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.

description: Small molecule binding data for protein Polycomb protein EED, Uniprot O75530
DOI: 10.7270/q2d50rjb
title: BindingDB Entry 50011174: Chemical puzzles in the search for new, flexible derivatives of lurasidone as antipsychotic drugs.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, and D(2) dopamine receptor, Uniprot P08908, P14416, P14842, P19327, P28223, P34969, P50406, and P61169
DOI: 10.7270/q2d50rks
title: BindingDB Entry 50011802: Negative allosteric modulators of the GluN2B NMDA receptor with phenylethylamine structure embedded in ring-expanded and ring-contracted scaffolds.

description: Small molecule binding data for protein Glutamate receptor ionotropic, NMDA 2B, Sigma intracellular receptor 2, and Sigma non-opioid intracellular receptor 1, Uniprot Q13224, Q5BJF2, Q5U3Y7, Q60492, and Q99720
DOI: 10.7270/q2d50rm7
title: BindingDB Entry 50012422: Potential of substituted quinazolines to interact with multiple targets in the treatment of cancer.

description: Small molecule binding data for protein Epidermal growth factor receptor, Platelet-derived growth factor receptor beta, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P09619, and P35968
DOI: 10.7270/q2d50rnp
title: BindingDB Entry 50013057: Novel quinolone-based potent and selective HDAC6 inhibitors: Synthesis, molecular modeling studies and biological investigation.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 6, and Histone deacetylase 8, Uniprot Q13547, Q9BY41, and Q9UBN7
DOI: 10.7270/q2d50rp4
title: BindingDB Entry 50013420: Design, synthesis and biological evaluation of diamino substituted cyclobut-3-ene-1,2-dione derivatives for the treatment of drug-resistant tuberculosis.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q2d50rqk
title: BindingDB Entry 50013721: Design, synthesis and evaluation of 3-amide-5-aryl benzoic acid derivatives as novel P2Y

description: Small molecule binding data for protein P2Y purinoceptor 14, Uniprot Q15391
DOI: 10.7270/q2d50rr1
title: BindingDB Entry 50014055: SAR of novel benzothiazoles targeting an allosteric pocket of DENV and ZIKV NS2B/NS3 proteases.

description: Small molecule binding data for protein Genome polyprotein and Nonstructural protein 3, Uniprot A0A024AXB9 and P29990
DOI: 10.7270/q2d50rsg
title: BindingDB Entry 50014713: Discovery of New 4-Indolyl Quinazoline Derivatives as Highly Potent and Orally Bioavailable P-Glycoprotein Inhibitors.

description: Small molecule binding data for protein ATP-dependent translocase ABCB1, Cytochrome P450 3A4, and Epidermal growth factor receptor, Uniprot P00533, P08183, and P08684
DOI: 10.7270/q2d79ffc
title: BindingDB Entry 9097: Imidazopyridines and imidazopyrazines as LSD1 inhibitors

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2d79fgt
title: BindingDB Entry 9484: 1-pyrazolyl-3-(4-((2-anilinopyrimidin-4-yl) oxy) napththalen-1-yl) ureas as P38 MAP knase inhibitors

description: Small molecule binding data for protein Cysteine protease ATG4B, Glycogen synthase kinase-3 alpha, Glycogen synthase kinase-3 beta, Mitogen-activated protein kinase 12, Mitogen-activated protein kinase 14, Proto-oncogene tyrosine-protein kinase Src, and Tyrosine-protein kinase SYK, Uniprot P12931, P43405, P49840, P49841, P53778, Q16539, and Q9Y4P1
DOI: 10.7270/q2d79fh8
title: BindingDB Entry 9693: Thienopyridine carboxamides as ubiquitin-specific protease inhibitors

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase 25 and Ubiquitin carboxyl-terminal hydrolase 28, Uniprot Q96RU2 and Q9UHP3
DOI: 10.7270/q2d79fjq
title: BindingDB Entry 9871: Inhibitors of protease-activated receptor-2

description: Small molecule binding data for protein Proteinase-activated receptor 2, Uniprot P55085
DOI: 10.7270/q2d79fk5
title: BindingDB Entry 10080: Sars-cov-2 inhibitors having covalent modifications for treating coronavirus infections

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q2d79fmm
title: BindingDB Entry 10467: PCSK9 inhibitors and methods of use thereof

description: Small molecule binding data for protein Proprotein convertase subtilisin/kexin type 9, Uniprot Q8NBP7
DOI: 10.7270/q2d79fn2
title: BindingDB Entry 10854: Heterocyclic compounds for the inhibition of PASK

description: Small molecule binding data for protein PAS domain-containing serine/threonine-protein kinase and PAS domain-containing serine/threonine-protein kinase [879-1323], Uniprot Q96RG2
DOI: 10.7270/q2d79fph
title: BindingDB Entry 50007118: α-Helix-Mimicking Sulfono-γ-AApeptide Inhibitors for p53-MDM2/MDMX Protein-Protein Interactions.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2 and Protein Mdm4, Uniprot O15151 and Q00987
DOI: 10.7270/q2d79fqz
title: BindingDB Entry 50007729: Design, synthesis and biological evaluation of novel uracil derivatives bearing 1, 2, 3-triazole moiety as thymidylate synthase (TS) inhibitors and as potential antitumor drugs.

description: Small molecule binding data for protein Polyunsaturated fatty acid lipoxygenase ALOX15B, Uniprot Q8K4F2
DOI: 10.7270/q2d79frd
title: BindingDB Entry 50008057: Synthesis and Evaluation of Carbonic Anhydrase Inhibitors with Carbon Monoxide Releasing Properties for the Management of Rheumatoid Arthritis.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 4, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P22748, and Q16790
DOI: 10.7270/q2d79fsv
title: BindingDB Entry 50008328: Discovery and optimization of pyrazole amides as antagonists of CCR1.

description: Small molecule binding data for protein C-C chemokine receptor type 1, Uniprot P32246
DOI: 10.7270/q2d79ft9
title: BindingDB Entry 50008686: Tetrahydroisoquinoline CXCR4 Antagonists Adopt a Hybrid Binding Mode within the Peptide Subpocket of the CXCR4 Receptor.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4, Uniprot P61073
DOI: 10.7270/q2d79fvr
title: BindingDB Entry 50009324: Optimization of 4-Aminopiperidines as Inhibitors of Influenza A Viral Entry That Are Synergistic with Oseltamivir.

description: Small molecule binding data for protein Cytochrome P450 2C9 and Cytochrome P450 3A4, Uniprot P08684 and P11712
DOI: 10.7270/q2d79fw6
title: BindingDB Entry 50009937: Discovery and antiparasitic activity of AZ960 as a Trypanosoma brucei ERK8 inhibitor.

description: Small molecule binding data for protein Tyrosine-protein kinase JAK2, Uniprot O60674
DOI: 10.7270/q2d79fxn
title: BindingDB Entry 50010497: Synthesis and biological evaluation of 2-quinolineacrylamides.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 6, and Histone deacetylase 8, Uniprot Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q2d79fz3
title: BindingDB Entry 50010842: Screening of chalcone analogs with anti-depressant, anti-inflammatory, analgesic, and COX-2-inhibiting effects.

description: Small molecule binding data for protein Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2, Uniprot P05979 and P79208
DOI: 10.7270/q2d79g0z
title: BindingDB Entry 50011126: Discovery of novel hydroxyamidine derivatives as indoleamine 2,3-dioxygenase 1 inhibitors with in vivo anti-tumor efficacy.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q2d79g1d
title: BindingDB Entry 50011471: Novel Compounds as STING Modulators for Treating Hepatitis B Virus Infections.

description: Small molecule binding data for protein Stimulator of interferon genes protein, Uniprot Q86WV6
DOI: 10.7270/q2d79g2v
title: BindingDB Entry 50011756: Rational design and Structure-Activity relationship of coumarin derivatives effective on HIV-1 protease and partially on HIV-1 reverse transcriptase.

description: Small molecule binding data for protein Gag-Pol polyprotein [489-587] and Reverse transcriptase/RNaseH, Uniprot P04585 and Q72547
DOI: 10.7270/q2d79g39
title: BindingDB Entry 50012099: Synthesis and structure-activity relationship studies of LLY-507 analogues as SMYD2 inhibitors.

description: Small molecule binding data for protein N-lysine methyltransferase SMYD2, Uniprot Q9NRG4
DOI: 10.7270/q2d79g4r
title: BindingDB Entry 50012714: Novel Potent Selective Orally Active S1P5 Receptor Antagonists.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Sphingosine 1-phosphate receptor 1, Sphingosine 1-phosphate receptor 2, Sphingosine 1-phosphate receptor 3, Sphingosine 1-phosphate receptor 4, and Sphingosine 1-phosphate receptor 5, Uniprot O95136, O95977, P05177, P08684, P10635, P11712, P21453, P33261, Q99500, and Q9H228
DOI: 10.7270/q2d79g56
title: BindingDB Entry 50013375: Development of a metabolically stable topoisomerase I poison as anticancer agent.

description: Small molecule binding data for protein DNA topoisomerase 1, Uniprot P11387
DOI: 10.7270/q2d79g6n
title: BindingDB Entry 50014000: Discovery of a Vitamin D Receptor-Silent Vitamin D Derivative That Impairs Sterol Regulatory Element-Binding Protein In Vivo.

description: Small molecule binding data for protein Sterol regulatory element-binding protein 1, Uniprot P36956
DOI: 10.7270/q2d79g73
title: BindingDB Entry 50014349: Discovery of IHMT-EZH2-115 as a Potent and Selective Enhancer of Zeste Homolog 2 (EZH2) Inhibitor for the Treatment of B-Cell Lymphomas.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Histone-lysine N-methyltransferase EZH2, Uniprot P05177, P08684, P10632, P10635, P11712, P20813, P33261, P40989, and Q15910