cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2k35wfd
title: BindingDB Entry 50046246: Effect of dehydroepiandrosterone derivatives on the activity of 5a-reductase isoenzymes and on cancer cell line PC-3.

description: Small molecule binding data for protein Steroid 5-alpha-reductase, Uniprot P24008 and P31213
DOI: 10.7270/q2kp83wq
title: BindingDB Entry 50045729: Identification of fused 16ß,17ß-oxazinone-estradiol derivatives as a new family of non-estrogenic 17ß-hydroxysteroid dehydrogenase type 1 inhibitors.

description: Small molecule binding data for protein Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1), Uniprot P14061
DOI: 10.7270/q2mg7rb8
title: BindingDB Entry 50046754: Interactions of a potent cyclic peptide inhibitor with the light chain of botulinum neurotoxin A: Insights from X-ray crystallography.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot P10845
DOI: 10.7270/q2np2687
title: BindingDB Entry 50047292: Discovery and Characterization of 2-Aminooxazolines as Highly Potent, Selective, and Orally Active TAAR1 Agonists.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Trace amine-associated receptor 1, and Trace amine-associated receptor 1 (TAAR1), Uniprot P08684, P10635, P11712, Q923Y8, Q923Y9, and Q96RJ0
DOI: 10.7270/q2ns0wkt
title: BindingDB Entry 50045295: One-pot heterogeneous synthesis of¿(3)-tetrahydrocannabinol analogues and xanthenes showing differential binding to CB(1) and CB(2) receptors.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2pv6n5t
title: BindingDB Entry 50046245: Design, synthesis and molecular modeling of biquinoline-pyridine hybrids as a new class of potential EGFR and 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/q2qf8vm2
title: BindingDB Entry 50045728: Design, synthesis, and evaluation of NO-donor containing carbonic anhydrase inhibitors to lower intraocular pressure.

description: Small molecule binding data for protein Carbonic anhydrase 2, Uniprot P00918
DOI: 10.7270/q2r78h20
title: BindingDB Entry 50046753: Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q2sf2z11
title: BindingDB Entry 50047291: Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor.

description: Small molecule binding data for protein Histone-arginine methyltransferase CARM1, Protein arginine N-methyltransferase 6, Protein arginine methyltransferase 3 (PRMT3), Protein arginine methyltransferase 8 (PRMT8), and Protein-arginine N-methyltransferase 1, Uniprot Q86X55, Q96LA8, and Q9NR22
DOI: 10.7270/q2sj1n9j
title: BindingDB Entry 50045294: Trends in research of antitrypanosomal agents among synthetic heterocycles.

description: Small molecule binding data for protein Cruzipain, Uniprot P25779
DOI: 10.7270/q2tm7cxk
title: BindingDB Entry 50046244: Design, synthesis and in vitro pharmacology of GluK1 and GluK3 antagonists. Studies towards the design of subtype-selective antagonists through 2-carboxyethyl-phenylalanines with substituents interacting with non-conserved residues in the GluK binding sites.

description: Small molecule binding data for protein Glutamate kainate and Glutamate receptor ionotropic, kainate, Uniprot P22756 and P42264
DOI: 10.7270/q2v69m9b
title: BindingDB Entry 50045727: Structure enabled design of BAZ2-ICR, a chemical probe targeting the bromodomains of BAZ2A and BAZ2B.

description: Small molecule binding data for protein Bromodomain adjacent to zinc finger domain protein 2A, Bromodomain adjacent to zinc finger domain protein 2B, and Cat eye syndrome critical region protein 2, Uniprot Q9BXF3, Q9UIF8, and Q9UIF9
DOI: 10.7270/q2w097rv
title: BindingDB Entry 50046752: Synthesis of potent urease inhibitors based on disulfide scaffold and their molecular docking studies.

description: Small molecule binding data for protein Urease, Uniprot P07374
DOI: 10.7270/q2x92d0t
title: BindingDB Entry 50045293: Discovery of oxazole and triazole derivatives as potent and selective S1P(1) agonists through pharmacophore-guided design.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q2zc84n9
title: BindingDB Entry 50046243: Design, synthesis, and structure-activity relationships of novel benzothiazole derivatives bearing the ortho-hydroxy N-carbamoylhydrazone moiety as potent antitumor agents.

description: Small molecule binding data for protein Caspase-3, Uniprot P42574
DOI: 10.7270/q20z7557
title: BindingDB Entry 50047297: In vitro and in silico PTP-1B inhibition and in vivo antidiabetic activity of semisynthetic moronic acid derivatives.

description: Small molecule binding data for protein Low molecular weight phosphotyrosine protein phosphatase (LMWPTP), Protein-tyrosine phosphatase 1B, and T-cell protein-tyrosine phosphatase, Uniprot P17706, P18031, and P24666
DOI: 10.7270/q2125vbb
title: BindingDB Entry 50045300: Synthesis and biological evaluation of substituted 4-(thiophen-2-ylmethyl)-2H-phthalazin-1-ones as potent PARP-1 inhibitors.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2251kzx
title: BindingDB Entry 50046250: 2-(2-Bromophenyl)-formononetin and 2-heptyl-formononetin are PPAR¿ partial agonists and reduce lipid accumulation in 3T3-L1 adipocytes.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q22r3tbc
title: BindingDB Entry 50045733: 3'-functionalized adamantyl cannabinoid receptor probes.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 2, Uniprot P20272, P34972, and P47936
DOI: 10.7270/q23f4rhc
title: BindingDB Entry 50046758: Synthesis and activities of new indolopyrrolobenzodiazepine derivatives toward acute myeloid leukemia cells.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309 and Q86V86
DOI: 10.7270/q24q7ww5
title: BindingDB Entry 50047296: Isatin analogs as novel inhibitors of Candida spp.ß-carbonic anhydrase enzymes.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and beta-Carbonic Anhydrase, Uniprot P00915, P00918, and Q5AJ71
DOI: 10.7270/q24t6m19
title: BindingDB Entry 50045299: Design, synthesis and biological evaluation of novel thieno[3,2-d]pyrimidine derivatives containing diaryl urea moiety as potent antitumor agents.

description: Small molecule binding data for protein C-RAF, Epidermal growth factor receptor, PI3-kinase subunit alpha, Platelet-derived growth factor receptor beta, RAF serine/threonine protein kinase, Serine/threonine-protein kinase mTOR, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P00533, P04049, P09619, P10721, P15056, P17948, P35916, P35968, P36888, P42336, and P42345
DOI: 10.7270/q26d5vq8
title: BindingDB Entry 50045732: Recent advances of chroman-4-one derivatives: synthetic approaches and bioactivities.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q28g8ncr
title: BindingDB Entry 50045298: Development of quinone analogues as dynamin GTPase inhibitors.

description: Small molecule binding data for protein Dynamin-1 and Dynamin-2, Uniprot P39052 and Q05193
DOI: 10.7270/q29k4d16
title: BindingDB Entry 50046248: Synthesis and evaluation of benzimidazole carbamates bearing indole moieties for antiproliferative and antitubulin activities.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1
DOI: 10.7270/q2bz67vr
title: BindingDB Entry 50046756: Synthesis and biological evaluation of di-aryl urea derivatives as c-Kit inhibitors.

description: Small molecule binding data for protein C-RAF, Epidermal growth factor receptor, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Hepatocyte growth factor receptor, PDGFR-beta/Platelet-derived growth factor receptor alpha, Platelet-derived growth factor receptor beta, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Kit (Kit), VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P00519, P00533, P04049, P08581, P09619, P10721, P12931, P16234, P17948, P35916, and P35968
DOI: 10.7270/q2d79d21
title: BindingDB Entry 50045297: N-[6-(4-butanoyl-5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indole-3-carboxamide (SAR216471), a novel intravenous and oral, reversible, and directly acting P2Y12 antagonist.

description: Small molecule binding data for protein Purinergic receptor P2Y12, Uniprot Q9EPX4 and Q9H244
DOI: 10.7270/q2fb54q2
title: BindingDB Entry 50046247: Pyrazole derivatives as potent inhibitors of c-Jun N-terminal kinase: synthesis and SAR studies.

description: Small molecule binding data for protein c-Jun N-terminal kinase, JNK, Uniprot P45983, P45984, and P53779
DOI: 10.7270/q2h133wn
title: BindingDB Entry 50047301: Sulfonamide Compounds as Voltage Gated Sodium Channel Modulators.

description: Small molecule binding data for protein Sodium channel alpha subunit, Uniprot Q15858
DOI: 10.7270/q2j104tb
title: BindingDB Entry 50045296: The extracellular entrance provides selectivity to serotonin 5-HT7 receptor antagonists with antidepressant-like behavior in vivo.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 7 (5-HT7) and 5-hydroxytryptamine receptor 1A, Uniprot P08908 and P34969
DOI: 10.7270/q2mp5559
title: BindingDB Entry 50047300: Recent Progress in Histone Demethylase Inhibitors.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Egl nine homolog 1, Histone Lysine Demethylase, Histone demethylase JARID1A, Inhibitor of growth protein 2, Lysine-specific demethylase 2A, Lysine-specific demethylase 2B, Lysine-specific demethylase 3A, Lysine-specific demethylase 3B (KDM3B), Lysine-specific demethylase 4A, Lysine-specific demethylase 4B, Lysine-specific demethylase 4C (KDM4C), Lysine-specific demethylase 5B (KDM5Flag-5B-FL), Lysine-specific demethylase 5C, Lysine-specific demethylase 6A, Lysine-specific demethylase 6B (KDM6B), and Lysine-specific histone demethylase 1A, Uniprot B2RXH2, I3VM53, O15054, O15550, O60341, O75164, O94953, P21397, P27338, P29375, P41229, Q7LBC6, Q8NHM5, Q9GZT9, Q9H160, Q9H3R0, Q9UGL1, Q9Y2K7, and Q9Y4C1
DOI: 10.7270/q2q81fw9
title: BindingDB Entry 50046761: Discovery of bis-aryl urea derivatives as potent and selective Limk inhibitors: Exploring Limk1 activity and Limk1/ROCK2 selectivity through a combined computational study.

description: Small molecule binding data for protein LIM domain kinase 1 and Rho-associated protein kinase, Uniprot O75116 and P53667
DOI: 10.7270/q2rf5ww7
title: BindingDB Entry 50047299: Discovery of novel pyrrole-based scaffold as potent and orally bioavailable free fatty acid receptor 1 agonists for the treatment of type 2 diabetes.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2sn0br9
title: BindingDB Entry 50046252: Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Bifunctional protein (GlmU), Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Cyclin-dependent kinase 9, Interleukin-1 receptor-associated kinase 1, Interleukin-1 receptor-associated kinase 4, JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P06493, P0ACC7, P23458, P24941, P50750, P51617, P52333, Q96GD4, and Q9NWZ3
DOI: 10.7270/q2w66nnd
title: BindingDB Entry 50047298: In silico to in vitro screening of hydroxypyridinones as acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2w95bv1
title: BindingDB Entry 50045301: Structure-based optimization of non-peptidic Cathepsin D inhibitors.

description: Small molecule binding data for protein Cathepsin D, Cathepsin E, and Renin, Uniprot P00797, P07339, P14091, and P80209
DOI: 10.7270/q2xd13g1
title: BindingDB Entry 50046251: Design, synthesis and biological activity of flavonoid derivatives as selective agonists for neuromedin U 2 receptor.

description: Small molecule binding data for protein Neuromedin-U receptor 2, Uniprot Q9GZQ4
DOI: 10.7270/q2z039vc
title: BindingDB Entry 50045734: Computer aided drug discovery of highly ligand efficient, low molecular weight imidazopyridine analogs as FLT3 inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase receptor FLT3, Uniprot P36888
DOI: 10.7270/q2zs2zb2
title: BindingDB Entry 50046759: Carbonic anhydrase inhibitors: Design, synthesis, kinetic, docking and molecular dynamics analysis of novel glycine and phenylalanine sulfonamide derivatives.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2000408
title: BindingDB Entry 50047305: New 4-Functionalized Glutamate Analogues Are Selective Agonists at Metabotropic Glutamate Receptor Subtype 2 or Selective Agonists at Metabotropic Glutamate Receptor Group III.

description: Small molecule binding data for protein Excitatory Amino Acid EAAT2, Excitatory amino acid transporter 1, Excitatory amino acid transporter 3, GRM7, Metabotropic glutamate receptor, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 3 (mGlu3), Metabotropic glutamate receptor 4 (mGlu4), Metabotropic glutamate receptor 6 (mGlu6), Metabotropic glutamate receptor 7 (mGlu7), Metabotropic glutamate receptor 8 (mGlu8), and metabotropic glutamate 1/2, Uniprot P23385, P31422, P31423, P31424, P35349, P35400, P43003, P43004, P43005, P70579, Q14416, and Q14831
DOI: 10.7270/q2154jtj
title: BindingDB Entry 50046258: Design, synthesis, and structure-activity relationship of novel opioid¿ receptor selective agonists:a-iminoamide derivatives with an azabicyclo[2.2.2]octene skeleton.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and mu/kappa opioid receptor, Uniprot P32300, P35372, P41143, P41144, P41145, and P42866
DOI: 10.7270/q23r0vss
title: BindingDB Entry 50047304: Discovery of (3-(4-(2-Oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone (AZD1979), a Melanin Concentrating Hormone Receptor 1 (MCHr1) Antagonist with Favorable Physicochemical Properties.

description: Small molecule binding data for protein GPR145, Histamine receptor (H3), Melanin-concentrating hormone receptor, Melanin-concentrating hormone receptor 1, and Voltage-gated potassium channel, Uniprot Q12809, Q969V1, Q99705, and Q9Y5N1
DOI: 10.7270/q23t9jwh
title: BindingDB Entry 50045307: Synthesis and biological evaluation of novel tacrine derivatives and tacrine-coumarin hybrids as cholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q24x59kd
title: BindingDB Entry 50046257: Design and optimization of novel 4-(2-fluorophenoxy)quinoline derivatives bearing a hydrazone moiety as c-Met kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Hepatocyte growth factor receptor, Macrophage-stimulating protein receptor, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P08581, P10721, P35968, P36888, and Q04912
DOI: 10.7270/q25h7hzr
title: BindingDB Entry 50045740: Synthesis, biological evaluation and molecular modeling studies of the PPARß/d antagonist CC618.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot Q03181
DOI: 10.7270/q2668g1t
title: BindingDB Entry 50046765: A computational view on the significance of E-ring in binding of (+)-arisugacin A to acetylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q27h1mhh
title: BindingDB Entry 50047303: 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).

description: Small molecule binding data for protein Bromodomain-containing protein 3, Bromodomain-containing protein 4, and Peregrin, Uniprot O60885, P55201, and Q15059
DOI: 10.7270/q27m09kb
title: BindingDB Entry 50045306: Syntheses of coumarin-tacrine hybrids as dual-site acetylcholinesterase inhibitors and their activity against butylcholinesterase, Aß aggregation, andß-secretase.

description: Small molecule binding data for protein Acetylcholinesterase, Beta-secretase 1, and Cholinesterase, Uniprot P06276, P22303, and P56817
DOI: 10.7270/q28p628p
title: BindingDB Entry 50046256: Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach.

description: Small molecule binding data for protein ADAM17, Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase 10, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot P03956, P08253, P08254, P09237, P09238, P14780, P22894, P45452, P50281, and P78536
DOI: 10.7270/q2959k85
title: BindingDB Entry 50045739: Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q29z96qc
title: BindingDB Entry 50046764: Development of Safe and Effective Botanical Dietary Supplements.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Uniprot P10635
DOI: 10.7270/q2c82bz7
title: BindingDB Entry 50045305: Discovery and optimization of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, G-protein coupled receptor 119 (GPR119), and Glucose-dependent insulinotropic receptor, Uniprot P11712, P33261, Q7TQN8, and Q8TDV5
DOI: 10.7270/q2c82c6s
title: BindingDB Entry 50047302: Structure-Activity Study of Bioisosteric Trifluoromethyl and Pentafluorosulfanyl Indole Inhibitors of the AAA ATPase p97.

description: Small molecule binding data for protein Valosin containing protein, p97 subunit, Uniprot P55072
DOI: 10.7270/q2db83nk
title: BindingDB Entry 50046255: Synthesis of oleanolic acid derivatives: In vitro, in vivo and in silico studies for PTP-1B inhibition.

description: Small molecule binding data for protein Low molecular weight phosphotyrosine protein phosphatase (LMWPTP), Protein-tyrosine phosphatase 1B, and T-cell protein-tyrosine phosphatase, Uniprot P17706, P18031, and P24666
DOI: 10.7270/q2dz0b04
title: BindingDB Entry 50045738: Truncated structures used in search for new lead compounds and in a retrospective analysis of thienopyrimidine-based EGFR inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2fq9zd8
title: BindingDB Entry 50046763: Design, synthesis and preliminary bioactivity studies of imidazolidine-2,4-dione derivatives as Bcl-2 inhibitors.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl-xL/BAK, and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07817, and Q07820
DOI: 10.7270/q2h133nh
title: BindingDB Entry 50045304: Discovery, structure-activity relationship studies, and anti-nociceptive effects of 1-phenyl-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one as novel opioid receptor agonists.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Nociceptin/mu opioid receptor, Uniprot P33535, P35372, P41143, and P41145
DOI: 10.7270/q2j38vbg
title: BindingDB Entry 50046254: Indoleamine 2,3-dioxygenase inhibitors: potential treatment for cancer, sepsis, and more.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Uniprot P14902
DOI: 10.7270/q2jq12qf
title: BindingDB Entry 50045737: Pure enantiomers of benzoylamino-tranylcypromine: LSD1 inhibition, gene modulation in human leukemia cells and effects on clonogenic potential of murine promyelocytic blasts.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, and P27338
DOI: 10.7270/q2kh0q4j
title: BindingDB Entry 50046762: Structural design, synthesis and pharmacological evaluation of 4-thiazolidinones against Trypanosoma cruzi.

description: Small molecule binding data for protein Cruzipain, Uniprot P25779
DOI: 10.7270/q2ms3vd0
title: BindingDB Entry 50045303: Synthesis of pyrazolo[4,3-a]phenanthridines, a new scaffold for Pim kinase inhibition.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309 and Q86V86
DOI: 10.7270/q2nv9m1f
title: BindingDB Entry 50046253: Modulators of GPR40 as Treatment for Diabetes.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2pg1tfs
title: BindingDB Entry 50045736: Water-soluble isoindolo[2,1-a]quinoxalin-6-imines: in vitro antiproliferative activity and molecular mechanism(s) of action.

description: Small molecule binding data for protein Cyclin-dependent kinase 1, Uniprot P06493
DOI: 10.7270/q2rj4m4q
title: BindingDB Entry 50045302: Development of dual targeting inhibitors against aggregations of amyloid-ß and tau protein.

description: Small molecule binding data for protein Tau, Uniprot P10636
DOI: 10.7270/q2t72k5h
title: BindingDB Entry 50045735: Novel series of benzoquinones with high potency against 5-lipoxygenase in human polymorphonuclear leukocytes.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP and Macrophage-expressed gene 1 protein, Uniprot P09917 and Q2M385
DOI: 10.7270/q2v126ng
title: BindingDB Entry 50046760: Design, synthesis and antithrombotic evaluation of novel dabigatran etexilate analogs, a new series of non-peptides thrombin inhibitors.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2028t6z
title: BindingDB Entry 50045308: Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cytochrome P450 1A1, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, SRC, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, and Voltage-gated potassium channel, Uniprot P04798, P06239, P08684, P10635, P10721, P11712, P33261, P36888, Q12809, and Q96GD4