cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2fj2mbv
title: BindingDB Entry 50011024: SAR of non-hydrolysable analogs of pyridoxal 5'-phosphate against low molecular weight protein tyrosine phosphatase isoforms.

description: Small molecule binding data for protein Low molecular weight phosphotyrosine protein phosphatase, Uniprot P24666
DOI: 10.7270/q2fj2mc9
title: BindingDB Entry 50011355: Potent and Selective Human Prostaglandin F (FP) Receptor Antagonist (BAY-6672) for the Treatment of Idiopathic Pulmonary Fibrosis (IPF).

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Prostacyclin receptor, Prostaglandin D2 receptor, Prostaglandin D2 receptor 2, Prostaglandin E2 receptor EP1 subtype, Prostaglandin E2 receptor EP2 subtype, Prostaglandin E2 receptor EP3 subtype, Prostaglandin E2 receptor EP4 subtype, Prostaglandin F2-alpha receptor, and Thromboxane A2 receptor, Uniprot P05177, P08684, P10632, P10635, P11712, P21731, P34995, P35408, P43088, P43115, P43116, P43117, P43118, P43119, Q13258, and Q9Y5Y4
DOI: 10.7270/q2fj2mdr
title: BindingDB Entry 50011639: Discovery of BAZ1A bromodomain inhibitors with the aid of virtual screening and activity evaluation.

description: Small molecule binding data for protein Bromodomain adjacent to zinc finger domain protein 1A, Uniprot Q9NRL2
DOI: 10.7270/q2fj2mf6
title: BindingDB Entry 50011999: Reversing binding sensitivity to A147T translocator protein.

description: Small molecule binding data for protein Translocator protein, Uniprot P30536
DOI: 10.7270/q2fj2mgn
title: BindingDB Entry 50012263: Discovery of 2-oxy-2-phenylacetic acid substituted naphthalene sulfonamide derivatives as potent KEAP1-NRF2 protein-protein interaction inhibitors for inflammatory conditions.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Kelch-like ECH-associated protein 1, and Nuclear factor erythroid 2-related factor 2, Uniprot P05177, P08684, P10635, P11712, P33261, Q14145, and Q16236
DOI: 10.7270/q2fj2mh3
title: BindingDB Entry 50012612: Synthetic Studies of Neoclerodane Diterpenes from Salvia divinorum: Identification of a Potent and Centrally Acting μ Opioid Analgesic with Reduced Abuse Liability.

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/q2fj2mjj
title: BindingDB Entry 50013244: Novel mouse GABA uptake inhibitors with enhanced inhibitory activity toward mGAT3/4 and their effect on pain threshold in mice.

description: Small molecule binding data for protein 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 P23978, P30531, P31649, P31650, P48065, P48066, and Q9NSD5
DOI: 10.7270/q2fj2mk0
title: BindingDB Entry 50013890: Novel potent bifunctional carboxylesterase inhibitors based on a polyfluoroalkyl-2-imino-1,3-dione scaffold.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, Cocaine esterase, Liver carboxylesterase, and Liver carboxylesterase 1, Uniprot O00748, P22303, P23141, P81908, and Q29550
DOI: 10.7270/q2fj2mmf
title: BindingDB Entry 50014542: Discovery of Irbesartan Derivatives as BLT2 Agonists by Virtual Screening.

description: Small molecule binding data for protein Leukotriene B4 receptor 2 and Type-1 angiotensin II receptor, Uniprot P30556 and Q9NPC1
DOI: 10.7270/q2fn197f
title: BindingDB Entry 9205: Somatostatin modulators and uses thereof

description: Small molecule binding data for protein Somatostatin receptor type 2, Uniprot P30874
DOI: 10.7270/q2fn198w
title: BindingDB Entry 9592: Neuroprotective agents for treatment of neurodegenerative diseases

description: Small molecule binding data for protein D(2) dopamine receptor and D(3) dopamine receptor, Uniprot P14416, P19020, P35462, and P61169
DOI: 10.7270/q2fn199b
title: BindingDB Entry 9979: Quinazoline compound for EGFR inhibition

description: Small molecule binding data for protein Epidermal growth factor receptor, Epidermal growth factor receptor [1-745,751-1210], and Epidermal growth factor receptor [L858R], Uniprot P00533
DOI: 10.7270/q2fn19bs
title: BindingDB Entry 10366: Metallo-beta-lactamase inhibitors and methods of use thereof

description: Small molecule binding data for protein Beta-lactamase, Metallo-beta-lactamase VIM-2, Metallo-beta-lactamase type 2, and VIM-1 metallo-beta-lactamase, Uniprot C7C422, Q3Y6Q3, Q5GN09, and Q79MP6
DOI: 10.7270/q2fn19c7
title: BindingDB Entry 10575: Imidazo[4,5-C]quinoline derivatives as LRRK2 inhibitors

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 and Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S], Uniprot Q5S007
DOI: 10.7270/q2fn19dp
title: BindingDB Entry 10753: Mitogen-activated protein kinase inhibitors, methods of making, and methods of use thereof

description: Small molecule binding data for protein Mitogen-activated protein kinase 13 and Mitogen-activated protein kinase 14, Uniprot O15264 and Q16539
DOI: 10.7270/q2fn19f4
title: BindingDB Entry 50006689: Treatment of Cancers by Inhibition of Isoprenylcysteine Carboxyl Methyltransferase.

description: Small molecule binding data for protein Protein-S-isoprenylcysteine O-methyltransferase, Uniprot O60725
DOI: 10.7270/q2fn19gk
title: BindingDB Entry 50006961: Synthesis, in vitro and in vivo biological evaluation of substituted 3-(5-imidazo[2,1-b]thiazolylmethylene)-2-indolinones as new potent anticancer agents.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1, Uniprot Q862L2
DOI: 10.7270/q2fn19h1
title: BindingDB Entry 50007276: Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Mitogen-activated protein kinase 7, Uniprot P05177, P08684, P10632, P10635, P11712, P40989, and Q13164
DOI: 10.7270/q2fn19jg
title: BindingDB Entry 50007895: Design, synthesis, and biological evaluation of 4-((6,7-dimethoxyquinoline-4-yl)oxy)aniline derivatives as FLT3 inhibitors for the treatment of acute myeloid leukemia.

description: Small molecule binding data for protein Receptor-type tyrosine-protein kinase FLT3, Uniprot P36888
DOI: 10.7270/q2fn19kx
title: BindingDB Entry 50008499: Peptide-β-lactam Inhibitors of Dengue and West Nile Virus NS2B-NS3 Protease Display Two Distinct Binding Modes.

description: Small molecule binding data for protein Genome polyprotein, Uniprot P06935 and P29990
DOI: 10.7270/q2fn19mc
title: BindingDB Entry 50009150: Potent bicyclic inhibitors of malarial cGMP-dependent protein kinase: approaches to combining improvements in cell potency, selectivity and structural novelty.

description: Small molecule binding data for protein cGMP-dependent protein kinase 1, Uniprot Q13976
DOI: 10.7270/q2fn19nt
title: BindingDB Entry 50009502: Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases.

description: Small molecule binding data for protein Endoplasmic reticulum aminopeptidase 1, Endoplasmic reticulum aminopeptidase 2, and Interleukin-1 receptor antagonist protein, Uniprot P18510, Q6P179, and Q9NZ08
DOI: 10.7270/q2fn19p8
title: BindingDB Entry 50009784: Synthesis and urease inhibitory potential of benzophenone sulfonamide hybrid in vitro and in silico.

description: Small molecule binding data for protein Urease and Urease subunit alpha [1-30]/beta/gamma, Uniprot P07374, Q03282, Q03283, and Q03284
DOI: 10.7270/q2fn19qq
title: BindingDB Entry 50010102: T-3364366 Targets the Desaturase Domain of Delta-5 Desaturase with Nanomolar Potency and a Multihour Residence Time.

description: Small molecule binding data for protein Acyl-CoA (8-3)-desaturase, Acyl-CoA 6-desaturase, and Acyl-CoA desaturase 1, Uniprot O60427, P07308, Q920R3, and Q9Z122
DOI: 10.7270/q2fn19r5
title: BindingDB Entry 50010671: Exploring structure-promiscuity relationships using dual-site promiscuity cliffs and corresponding single-site analogs.

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase Src, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Fgr, Tyrosine-protein kinase Fyn, Tyrosine-protein kinase Lyn, Tyrosine-protein kinase Yes, Vascular endothelial growth factor receptor 1, and Vascular endothelial growth factor receptor 2, Uniprot P00519, P06241, P07947, P07948, P09769, P12931, P17948, and P35968
DOI: 10.7270/q2fn19sm
title: BindingDB Entry 50011310: Dehydrohispanolone Derivatives Attenuate the Inflammatory Response through the Modulation of Inflammasome Activation.

description: Small molecule binding data for protein NACHT, LRR and PYD domains-containing protein 3, Uniprot Q8R4B8
DOI: 10.7270/q2fn19t2
title: BindingDB Entry 50011941: Design, synthesis and anti-inflammatory activity of imidazol-5-yl pyridine derivatives as p38α/MAPK14 inhibitor.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2fn19vh
title: BindingDB Entry 50012560: Bridging computational modeling with amino acid replacements to investigate GHS-R1a-peptidomimetic recognition.

description: Small molecule binding data for protein Growth hormone secretagogue receptor type 1, Uniprot Q92847
DOI: 10.7270/q2fn19wz
title: BindingDB Entry 50012894: A Phosphoramidate Strategy Enables Membrane Permeability of a Non-nucleotide Inhibitor of the Prolyl Isomerase Pin1.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Uniprot Q13526
DOI: 10.7270/q2fn19xd
title: BindingDB Entry 50013199: A new class of α-ketoamide derivatives with potent anticancer and anti-SARS-CoV-2 activities.

description: Small molecule binding data for protein Proteasome subunit beta type-1, Proteasome subunit beta type-2, and Proteasome subunit beta type-8, Uniprot P20618, P28062, and P49721
DOI: 10.7270/q2fn19zv
title: BindingDB Entry 50013538: Small Molecule Inhibitors of KRAS Mutant as a Therapeutic Strategy for the Treatment of Cancer.

description: Small molecule binding data for protein GTPase KRas, Uniprot P01116
DOI: 10.7270/q2fn1b0q
title: BindingDB Entry 50014189: The Discovery of Conformationally Constrained Bicyclic Peptidomimetics as Potent Hepatitis C NS5A Inhibitors.

description: Small molecule binding data for protein Nonstructural protein 5A, Uniprot Q5L478
DOI: 10.7270/q2fr00nr
title: BindingDB Entry 9174: Prodrug amino acid derivative

description: Small molecule binding data for protein Metabotropic glutamate receptor 2 and Metabotropic glutamate receptor 3, Uniprot Q14416 and Q14832
DOI: 10.7270/q2fr00p6
title: BindingDB Entry 9383: Piperidine derivatives as inhibitors of ubiquitin specific protease 7

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase 7, Uniprot Q93009
DOI: 10.7270/q2fr00qn
title: BindingDB Entry 9561: Modulators of the 5-hydroxytryptamine receptor 7 and their method of use

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 7, Uniprot P34969
DOI: 10.7270/q2fr00r3
title: BindingDB Entry 9770: Methods of treating intraocular pressure with activators of Tie-2

description: Small molecule binding data for protein Receptor-type tyrosine-protein phosphatase beta, Uniprot P23467
DOI: 10.7270/q2fr00sj
title: BindingDB Entry 10157: EPAC antagonists

description: Small molecule binding data for protein Rap guanine nucleotide exchange factor 3 and Rap guanine nucleotide exchange factor 4, Uniprot O95398 and Q8WZA2
DOI: 10.7270/q2fr00t0
title: BindingDB Entry 10544: Chemical compounds

description: Small molecule binding data for protein Androgen receptor, Uniprot P10275
DOI: 10.7270/q2fr00vf
title: BindingDB Entry 10931: OX2R compounds

description: Small molecule binding data for protein Orexin receptor type 2, Uniprot O43614
DOI: 10.7270/q2fr00ww
title: BindingDB Entry 50007224: Molecular Basis for the Selective Inhibition of Histone Deacetylase 6 by a Mercaptoacetamide Inhibitor.

description: Small molecule binding data for protein Histone deacetylase 6 and Histone deacetylase 8, Uniprot Q9BY41 and Q9UBN7
DOI: 10.7270/q2fr00xb
title: BindingDB Entry 50007574: Discovery of novel pyridazine derivatives as glucose transporter type 4 (GLUT4) translocation activators.

description: Small molecule binding data for protein Solute carrier family 2, facilitated glucose transporter member 4, Uniprot P19357
DOI: 10.7270/q2fr00zs
title: BindingDB Entry 50007843: Combining structure- and property-based optimization to identify selective FLT3-ITD inhibitors with good antitumor efficacy in AML cell inoculated mouse xenograft model.

description: Small molecule binding data for protein High affinity nerve growth factor receptor, Macrophage colony-stimulating factor 1 receptor, Mast/stem cell growth factor receptor Kit, Receptor-type tyrosine-protein kinase FLT3, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase BTK, and Tyrosine-protein kinase Lck, Uniprot P00519, P04629, P06239, P07333, P10721, P36888, and Q06187
DOI: 10.7270/q2fr010n
title: BindingDB Entry 50008171: Medicinal prospects of antioxidants: A review.

description: Small molecule binding data for protein Beta-glucuronidase, Uniprot P08236
DOI: 10.7270/q2fr0113
title: BindingDB Entry 50008825: Discovery of conolidine derivative DS39201083 as a potent novel analgesic without mu opioid agonist activity.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q2fr012j
title: BindingDB Entry 50009443: Development of novel multipotent compounds modulating endocannabinoid and dopaminergic systems.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, D(2) dopamine receptor, D(3) dopamine receptor, and Fatty-acid amide hydrolase 1, Uniprot O08914, P14416, P19020, P35462, P40989, and P61169
DOI: 10.7270/q2fr0130
title: BindingDB Entry 50010055: 1,2-Benzisoselenazol-3(2H)-one Derivatives As a New Class of Bacterial Urease Inhibitors.

description: Small molecule binding data for protein Urease subunit beta, Uniprot P69996
DOI: 10.7270/q2fr014f
title: BindingDB Entry 50010357: Further exploration of the structure-activity relationship of imidazoquinolines; identification of potent C7-substituted imidazoquinolines.

description: Small molecule binding data for protein Toll-like receptor 7 and Toll-like receptor 8, Uniprot Q9NR97 and Q9NYK1
DOI: 10.7270/q2fr015w
title: BindingDB Entry 50010617: Developing Cyclic Opioid Analogues: Fluorescently Labeled Bioconjugates of Biphalin.

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/q2fr016b
title: BindingDB Entry 50010966: Structural Revision of Garcinielliptin Oxide and Garcinielliptone E.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2fr017s
title: BindingDB Entry 50011600: Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.

description: Small molecule binding data for protein Probable global transcription activator SNF2L2, Protein polybromo-1, and Transcription activator BRG1, Uniprot P51531, P51532, and Q86U86
DOI: 10.7270/q2fr0187
title: BindingDB Entry 50012224: Apigenin-rivastigmine hybrids as multi-target-directed liagnds for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Carboxylic ester hydrolase, and Cholinesterase, Uniprot P06276, P22303, P37136, and Q9JKC1
DOI: 10.7270/q2fr019p
title: BindingDB Entry 50012836: Optimization of Acetazolamide-Based Scaffold as Potent Inhibitors of Vancomycin-Resistant

description: Small molecule binding data for protein Carbonic anhydrase 13, Uniprot Q8N1Q1
DOI: 10.7270/q2fr01b4
title: BindingDB Entry 50013489: Discovery of 4-Arylindolines Containing a Thiazole Moiety as Potential Antitumor Agents Inhibiting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction.

description: Small molecule binding data for protein Programmed cell death 1 ligand/protein 1, Uniprot Q15116 and Q9NZQ7
DOI: 10.7270/q2fr01ck
title: BindingDB Entry 50013830: Design, synthesis, and evaluation of "dual-site"-binding diarylpyrimidines targeting both NNIBP and the NNRTI adjacent site of the HIV-1 reverse transcriptase.

description: Small molecule binding data for protein Reverse transcriptase/RNaseH, Uniprot Q72547
DOI: 10.7270/q2fr01d1
title: BindingDB Entry 50014138: Development of succinimide-based inhibitors for the mitochondrial rhomboid protease PARL.

description: Small molecule binding data for protein Presenilins-associated rhomboid-like protein, mitochondrial and Rhomboid protease GlpG, Uniprot P09391 and Q9H300
DOI: 10.7270/q2fr01fg
title: BindingDB Entry 50014484: Discovery of the First Non-cGMP Mimetic Small Molecule Activators of cGMP-Dependent Protein Kinase 1 α (PKG1α).

description: Small molecule binding data for protein cGMP-dependent protein kinase 1, Uniprot Q13976
DOI: 10.7270/q2ft8q30
title: BindingDB Entry 9352: CXCR4 inhibitors and uses thereof

description: Small molecule binding data for protein C-X-C chemokine receptor type 4, Uniprot P25930
DOI: 10.7270/q2ft8q4f
title: BindingDB Entry 9739: Inhibitors of Bruton's tyrosine kinase and method of their use

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2ft8q5w
title: BindingDB Entry 9948: Substituted pyrimidines as LRKK2 inhibitors

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S], Uniprot Q5S007
DOI: 10.7270/q2ft8q6b
title: BindingDB Entry 10126: Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors

description: Small molecule binding data for protein Ataxin-1, Uniprot P54253
DOI: 10.7270/q2ft8q7s
title: BindingDB Entry 10335: Human plasma kallikrein inhibitors

description: Small molecule binding data for protein Plasma kallikrein, Uniprot P03952
DOI: 10.7270/q2ft8q87
title: BindingDB Entry 10722: Tricyclic compounds as Cyp1 inhibitors

description: Small molecule binding data for protein CYP1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2D6, and Cytochrome P450 3A43, Uniprot P04798, P10635, P20813, P33261, and Q9HB55
DOI: 10.7270/q2ft8q9p
title: BindingDB Entry 50006911: From bench to counter: Discovery and validation of a peony extract as tyrosinase inhibiting cosmeceutical.

description: Small molecule binding data for protein Polyphenol oxidase 2, Uniprot O42713
DOI: 10.7270/q2ft8qb4
title: BindingDB Entry 50007524: Identification of an indol-based multi-target kinase inhibitor through phenotype screening and target fishing using inverse virtual screening approach.

description: Small molecule binding data for protein 3-phosphoinositide-dependent protein kinase 1, BDNF/NT-3 growth factors receptor, Casein kinase II subunit alpha, Casein kinase II subunit alpha', Dual specificity mitogen-activated protein kinase kinase 1, Dual specificity mitogen-activated protein kinase kinase 2, Dual specificity protein kinase CLK1, Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, Focal adhesion kinase 1, Hepatocyte growth factor receptor, High affinity nerve growth factor receptor, Mast/stem cell growth factor receptor Kit, Mitogen-activated protein kinase 1, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 15, Mitogen-activated protein kinase 3, Mitogen-activated protein kinase 7, Mitogen-activated protein kinase kinase kinase 1, Mitogen-activated protein kinase kinase kinase 10, Mitogen-activated protein kinase kinase kinase 9, Platelet-derived growth factor receptor alpha, Platelet-derived growth factor receptor beta, Proto-oncogene tyrosine-protein kinase Src, RAC-beta serine/threonine-protein kinase, Receptor tyrosine-protein kinase erbB-2, Receptor tyrosine-protein kinase erbB-4, Rho-associated protein kinase 1, SRSF protein kinase 1, Serine/threonine-protein kinase Chk2, Tyrosine-protein kinase ABL1, Vascular endothelial growth factor receptor 1, Vascular endothelial growth factor receptor 2, Vascular endothelial growth factor receptor 3, and Wee1-like protein kinase, Uniprot O15530, O96017, P00519, P00533, P04626, P04629, P08581, P09619, P10721, P11362, P12931, P16234, P17948, P19784, P21802, P22455, P22607, P27361, P28482, P30291, P31751, P35916, P35968, P36507, P49759, P68400, P80192, Q02750, Q02779, Q05397, Q13164, Q13233, Q13464, Q15303, Q16539, Q16620, Q8TD08, and Q96SB4
DOI: 10.7270/q2ft8qck
title: BindingDB Entry 50008129: Discovery of potent 4-aminoquinoline hydrazone inhibitors of NRH:quinoneoxidoreductase-2 (NQO2).

description: Small molecule binding data for protein NAD(P)H dehydrogenase [quinone] 1 and Ribosyldihydronicotinamide dehydrogenase [quinone], Uniprot P15559 and P16083
DOI: 10.7270/q2ft8qd1
title: BindingDB Entry 50008454: Direct and straightforward access to substituted alkyl selenols as novel carbonic anhydrase inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 2, Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot P00915, P00918, P43166, and Q16790
DOI: 10.7270/q2ft8qfg
title: BindingDB Entry 50008772: Design, synthesis, biological evaluation of benzoyl amide derivatives containing nitrogen heterocyclic ring as potential VEGFR-2 inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Fibroblast growth factor receptor 1, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P11362, and P35968
DOI: 10.7270/q2ft8qgx
title: BindingDB Entry 50009101: Structure-activity relationship study and biological evaluation of SAC-Garlic acid conjugates as novel anti-inflammatory agents.

description: Small molecule binding data for protein Toll-like receptor 2, Uniprot Q9QUN7
DOI: 10.7270/q2ft8qhc
title: BindingDB Entry 50009733: Design of Novel Inhibitors of Human Thymidine Phosphorylase: Synthesis, Enzyme Inhibition, in Vitro Toxicity, and Impact on Human Glioblastoma Cancer.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, and Thymidine phosphorylase, Uniprot P05177, P05181, P08684, P10635, P11712, P19971, and P33261
DOI: 10.7270/q2ft8qjt
title: BindingDB Entry 50010313: Expansion of a novel lead targeting M. tuberculosis DHFR as antitubercular agents.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00374 and P9WNX1
DOI: 10.7270/q2ft8qk8
title: BindingDB Entry 50010923: Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).

description: Small molecule binding data for protein Methylosome protein 50/Protein arginine N-methyltransferase 5 and Protein arginine N-methyltransferase 5, Uniprot O14744 and Q9BQA1
DOI: 10.7270/q2ft8qmq
title: BindingDB Entry 50011251: Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, and Bromodomain-containing protein 4, Uniprot O60885, P25440, P40989, Q15059, and Q58F21