cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2ns0w1n
title: BindingDB Entry 50040411: Design, synthesis, and biological evaluation of nonsteroidal cycloalkane[d]isoxazole-containing androgen receptor modulators.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2nz88st
title: BindingDB Entry 50040945: Optimization and structure-activity relationships of a series of potent inhibitors of methicillin-resistant Staphylococcus aureus (MRSA) pyruvate kinase as novel antimicrobial agents.

description: Small molecule binding data for protein Pyruvate kinase, Uniprot Q6GG09
DOI: 10.7270/q2sf2x79
title: BindingDB Entry 50040022: Quinolylhydrazones as novel inhibitors of Plasmodium falciparum serine protease PfSUB1.

description: Small molecule binding data for protein Subtilisin-like protease
DOI: 10.7270/q2sj1mqh
title: BindingDB Entry 50040410: Urea-based inhibitors of Trypanosoma brucei methionyl-tRNA synthetase: selectivity and in vivo characterization.

description: Small molecule binding data for protein Methionyl-tRNA synthetase, Uniprot P56192
DOI: 10.7270/q2ws8vg8
title: BindingDB Entry 50041650: Discovery of bioavailable 4,4-disubstituted piperidines as potent ligands of the chemokine receptor 5 and inhibitors of the human immunodeficiency virus-1.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q2x63p2c
title: BindingDB Entry 50040409: Discovery of a novel glucagon receptor antagonist N-[(4-{(1S)-1-[3-(3, 5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl]ethyl}phenyl)carbonyl]-ß-alanine (MK-0893) for the treatment of type II diabetes.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 2E1, Cytochrome P450 3A, Dual specificity protein phosphatase 2, Gastric inhibitory polypeptide receptor, Glucagon receptor, Glucagon-like peptide 1 receptor (GLP-1), Uncharacterized protein, VIPR1, Vasoactive intestinal polypeptide receptor 2, and Voltage-gated potassium channel, Uniprot P05177, P05181, P08684, P10632, P10635, P11712, P20813, P30082, P32241, P41587, P43220, P47871, P48546, Q05923, Q12809, and Q61606
DOI: 10.7270/q20z74b2
title: BindingDB Entry 50040028: Fused bicyclic heteroarylpiperazine-substituted L-prolylthiazolidines as highly potent DPP-4 inhibitors lacking the electrophilic nitrile group.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IV, Dipeptidyl peptidase IX, and Dipeptidyl peptidase VIII, Uniprot P14740, P27487, Q6V1X1, and Q86TI2
DOI: 10.7270/q20z74dz
title: BindingDB Entry 50040416: Novel multipotent phenylthiazole-tacrine hybrids for the inhibition of cholinesterase activity,ß-amyloid aggregation and Ca²¿ overload.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q24q7w1z
title: BindingDB Entry 50040027: Rapid identification of ETP-46992, orally bioavailable PI3K inhibitor, selective versus mTOR.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, Serine/threonine-protein kinase mTOR, and Voltage-gated potassium channel, Uniprot O00329, P42336, P42338, P42345, P48736, and Q12809
DOI: 10.7270/q24q7w3v
title: BindingDB Entry 50040415: Potent small molecule Hedgehog agonists induce VEGF expression in vitro.

description: Small molecule binding data for protein Sonic hedgehog protein, Uniprot Q62226
DOI: 10.7270/q28g8mr8
title: BindingDB Entry 50040026: (+)-Pinoresinol is a putative hypoglycemic agent in defatted sesame (Sesamum indicum) seeds though inhibitinga-glucosidase.

description: Small molecule binding data for protein Acidic alpha-glucosidase, Uniprot Q6P7A9
DOI: 10.7270/q28s4r30
title: BindingDB Entry 50040948: Heteroaryl urea inhibitors of fatty acid amide hydrolase: structure-mutagenicity relationships for arylamine metabolites.

description: Small molecule binding data for protein Anandamide amidohydrolase and Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519 and P97612
DOI: 10.7270/q2d79chf
title: BindingDB Entry 50040413: Virtual screening and computational optimization for the discovery of covalent prolyl oligopeptidase inhibitors with activity in human cells.

description: Small molecule binding data for protein Endopeptidase prolyl oligopeptidase (PREP) and Fibroblast activation protein alpha, Uniprot P48147 and Q12884
DOI: 10.7270/q2dj5gsv
title: BindingDB Entry 50040947: New diterpene furanoids from the Antarctic lichen Huea sp.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2hh6m96
title: BindingDB Entry 50041653: Inhibition of siderophore biosynthesis by 2-triazole substituted analogues of 5'-O-[N-(salicyl)sulfamoyl]adenosine: antibacterial nucleosides effective against Mycobacterium tuberculosis.

description: Small molecule binding data for protein 2,3-dihydroxybenzoate-AMP ligase
DOI: 10.7270/q2j10485
title: BindingDB Entry 50040412: Structure-based design of potent Bcl-2/Bcl-xL inhibitors with strong in vivo antitumor activity.

description: Small molecule binding data for protein Bcl-xL/BAK and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07817 and Q07820
DOI: 10.7270/q2j67j38
title: BindingDB Entry 50040946: Design and synthesis of novel bis-thiazolone derivatives as micromolar CDC25 phosphatase inhibitors: effect of dimerisation on phosphatase inhibition.

description: Small molecule binding data for protein Dual specificity phosphatase Cdc25B, Dual specificity protein phosphatase (VHR), and Protein-tyrosine phosphatase 1B, Uniprot P18031, P30305, and P51452
DOI: 10.7270/q2n87c1x
title: BindingDB Entry 50041652: Synthesis and pharmacological characterization of novel druglike corticotropin-releasing factor 1 antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q2rj4kh7
title: BindingDB Entry 50040030: Bisdionin C-a rationally designed, submicromolar inhibitor of family 18 chitinases.

description: Small molecule binding data for protein Acidic mammalian chitinase, Chitinase, and Chitinase (chiA1), Uniprot Q873X9, Q873Y0, and Q91XA9
DOI: 10.7270/q2s183r7
title: BindingDB Entry 50041651: Structure-activity relationships in 1,4-benzodioxan-related compounds. 9. From 1,4-benzodioxane to 1,4-dioxane ring as a promising template of novel alpha1D-adrenoreceptor antagonists, 5-HT1A full agonists, and cytotoxic agents.

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/q2sq91j0
title: BindingDB Entry 50040944: Novel coumarin derivatives bearing N-benzyl pyridinium moiety: potent and dual binding site acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2w66mvp
title: BindingDB Entry 50040029: Synthesis of phenserine analogues and evaluation of their cholinesterase inhibitory activities.

description: Small molecule binding data for protein Acetylcholinesterase and Acetylcholinesterase and butyrylcholinesterase (AChE and BChE), Uniprot P37136
DOI: 10.7270/q2w95b8d
title: BindingDB Entry 50040417: Optimization of anti-Trypanosoma cruzi oxadiazoles leads to identification of compounds with efficacy in infected mice.

description: Small molecule binding data for protein Cruzipain, Uniprot P25779
DOI: 10.7270/q2xg9s9s
title: BindingDB Entry 50040943: Synthesis and structure-activity relationships of tri-substituted thiazoles as RAGE antagonists for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Advanced glycosylation end product-specific receptor, Uniprot Q15109
DOI: 10.7270/q20k29s8
title: BindingDB Entry 50041665: New quinoline NK3 receptor antagonists with CNS activity.

description: Small molecule binding data for protein Neurokinin 3 receptor, Uniprot P29371
DOI: 10.7270/q21837pp
title: BindingDB Entry 50040950: Discovery of a novel class of zwitterionic, potent, selective and orally active S1P1 direct agonists.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q23r0v0g
title: BindingDB Entry 50040423: Optimisation of pharmacokinetic properties in a neutral series of 11ß-HSD1 inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, 11-beta-hydroxysteroid dehydrogenase 2, and Voltage-gated potassium channel, Uniprot P28845, P50172, P80365, and Q12809
DOI: 10.7270/q2474c3p
title: BindingDB Entry 50041662: Identification of small molecule agonists of the motilin receptor.

description: Small molecule binding data for protein Growth hormone secretagogue receptor type 1 and Motilin receptor, Uniprot A5A4K9 and O43193
DOI: 10.7270/q25140dd
title: BindingDB Entry 50040949: Design, synthesis and pharmacological evaluation of 4-(piperazin-1-yl methyl)-N1-arylsulfonyl indole derivatives as 5-HT6 receptor ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P08684, P10635, and P50406
DOI: 10.7270/q27h1kpb
title: BindingDB Entry 50040422: Discovery of 4-morpholino-pyrimidin-6-one and 4-morpholino-pyrimidin-2-one-containing Phosphoinositide 3-kinase (PI3K) p110ß isoform inhibitors through structure-based fragment optimisation.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, and PI3-kinase subunit gamma, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q28053t0
title: BindingDB Entry 50041661: Synthesis, molecular modeling studies and selective inhibitory activity against MAO of N1-propanoyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole derivatives.

description: Small molecule binding data for protein Monoamine oxidase, Uniprot P21398 and P56560
DOI: 10.7270/q2c82bb5
title: BindingDB Entry 50040033: Discovery of a novel class of potent human deoxyuridine triphosphatase inhibitors remarkably enhancing the antitumor activity of thymidylate synthase inhibitors.

description: Small molecule binding data for protein Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase), Uniprot P33316
DOI: 10.7270/q2c82bcm
title: BindingDB Entry 50040421: Synthesis and pharmacological evaluation of N-substituted 2-(2-oxo-2H-chromen-4-yloxy)propanamide as cyclooxygenase inhibitors.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2cr5vkg
title: BindingDB Entry 50041660: GRIND-based 3D-QSAR to predict inhibitory activity for similar enzymes, OSC and SHC.

description: Small molecule binding data for protein Lanosterol synthase, Uniprot P48449
DOI: 10.7270/q2h1332w
title: BindingDB Entry 50040032: Activation of human RNase L by 2'- and 5'-O-methylphosphonate-modified oligoadenylates.

description: Small molecule binding data for protein RNase L, Uniprot Q05823
DOI: 10.7270/q2h1333b
title: BindingDB Entry 50040420: Discovery of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-nitrobenzoate (ML221) as a functional antagonist of the apelin (APJ) receptor.

description: Small molecule binding data for protein Angiotensin II receptor and apelin receptor, Uniprot P30556 and P35414
DOI: 10.7270/q2h996br
title: BindingDB Entry 50040954: Discovery and SAR of a novel series of non-MPEP site mGlu5 PAMs based on an aryl glycine sulfonamide scaffold.

description: Small molecule binding data for protein Metabotropic glutamate receptor, Metabotropic glutamate receptor 5, and Voltage-gated potassium channel, Uniprot P31424, P41594, and Q12809
DOI: 10.7270/q2ms3ttz
title: BindingDB Entry 50040031: Synthesis of rocaglamide hydroxamates and related compounds as eukaryotic translation inhibitors: synthetic and biological studies.

description: Small molecule binding data for protein Eukaryotic initiation factor 4A-I, Uniprot P60842
DOI: 10.7270/q2ms3tvd
title: BindingDB Entry 50040419: Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2 (BACE2), and Cathepsin D, Uniprot P07339, P56817, and Q9Y5Z0
DOI: 10.7270/q2n017q6
title: BindingDB Entry 50040953: Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. Part 8. High affinity ligands for opioid receptors in the picomolar Ki range: oxygenated N-(2-[1,1'-biphenyl]-4-ylethyl) analogues of 8-CAC.

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/q2r212md
title: BindingDB Entry 50041673: The discovery of a selective, small molecule agonist for the MAS-related gene X1 receptor.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Adrenergic alpha1B, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Mas-related G-protein coupled receptor member X1, and Serotonin receptor (2b and 2c), Uniprot P07550, P14416, P28221, P28222, P28223, P28335, P35368, P35462, P41595, P50406, and Q96LB2
DOI: 10.7270/q2rj4kk4
title: BindingDB Entry 50040418: Novel sulfanylphthalimide analogues as highly potent inhibitors of monoamine oxidase B.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2vt1tbf
title: BindingDB Entry 50041668: Aryl sulphonyl amides as potent agonists of the growth hormone secretagogue (ghrelin) receptor.

description: Small molecule binding data for protein Ghrelin receptor, Uniprot Q92847
DOI: 10.7270/q2wh2r5z
title: BindingDB Entry 50040951: Discovery of a novel series of benzimidazole derivatives as diacylglycerol acyltransferase inhibitors.

description: Small molecule binding data for protein Diacyl Glycerolacyltransferase 1 (DGAT-1), Uniprot Q9ERM3
DOI: 10.7270/q2028snc
title: BindingDB Entry 50040424: Evaluation of structure-derived pharmacophore of soluble epoxide hydrolase inhibitors by virtual screening.

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q20866gd
title: BindingDB Entry 50040958: Analogue-based design, synthesis and docking of non-steroidal anti-inflammatory agents. Part 2: methyl sulfanyl/methyl sulfonyl substituted 2,3-diaryl-2,3-dihydro-1H-quinazolin-4-ones.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q23b61cm
title: BindingDB Entry 50041682: Muscarinic acetylcholine receptor antagonists: SAR and optimization of tyrosine ureas.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, and Muscarinic acetylcholine receptor M2, Uniprot P08172, P11229, and P20309
DOI: 10.7270/q2416z76
title: BindingDB Entry 50040957: Brominated aromatic furanones and related esters from the ascidian Synoicum sp.

description: Small molecule binding data for protein Isocitrate lyase, Uniprot Q9P8Q7
DOI: 10.7270/q27082n5
title: BindingDB Entry 50041681: Synthesis of (3,4-dimethoxyphenoxy)alkylamino acetamides as orexin-2 receptor antagonists.

description: Small molecule binding data for protein Orexin receptor 2, Uniprot O43614 and S4X0W3
DOI: 10.7270/q27h1kmf
title: BindingDB Entry 50040034: Bruton's tyrosine kinase inhibitors: approaches to potent and selective inhibition, preclinical and clinical evaluation for inflammatory diseases and B cell malignancies.

description: Small molecule binding data for protein Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, SRC, Tyrosine-protein kinase BMX, Tyrosine-protein kinase BTK, and Tyrosine-protein kinase Blk, Uniprot P07948, P07949, P51451, P51813, and Q06187
DOI: 10.7270/q27s7pz6
title: BindingDB Entry 50040956: Discovery of a novel series of 4-quinolone JNK inhibitors.

description: Small molecule binding data for protein CDK7/Cyclin H/MNAT1, Death-associated protein kinase 1, Death-associated protein kinase 2, Death-associated protein kinase 3, Dual specificity mitogen-activated protein kinase kinase 4, Extracellular signal-regulated kinase 5 (ERK5), Inhibitor of NF-kappa-B kinase (IKK), Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase 13 (MAPK13), Mitogen-activated protein kinase 15, Mitogen-activated protein kinase 9, Myosin light chain kinase family member 4, Ribosomal protein S6 kinase (P70S6K), Serine/threonine-protein kinase 17A, Serine/threonine-protein kinase DCLK3, Serine/threonine-protein kinase RIO2, c-Jun N-terminal kinase, JNK, and p38 delta/gamma, Uniprot O14920, O15264, O43293, P23443, P45983, P45984, P45985, P50613, P51617, P53355, P53778, Q13164, Q86YV6, Q8TD08, Q9BVS4, Q9C098, Q9UEE5, and Q9UIK4
DOI: 10.7270/q2b85977
title: BindingDB Entry 50040429: Design, synthesis and biological evaluation of heterocyclic azoles derivatives containing pyrazine moiety as potential telomerase inhibitors.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2br8tc6
title: BindingDB Entry 50041679: 6-[2-(4-Aryl-1-piperazinyl)ethyl]-2H-1,4-benzoxazin-3(4H)-ones: dual-acting 5-HT1 receptor antagonists and serotonin reuptake inhibitors.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, and Serotonin and norepinephrine transporters (SERT/NET), Uniprot P08908, P28221, P28222, and P31645
DOI: 10.7270/q2cj8fng
title: BindingDB Entry 50040955: Discovery and evolution of phenoxypiperidine hydroxyamide dual CCR3/H1 antagonists. Part I.

description: Small molecule binding data for protein C-C chemokine receptor type 1, C-C chemokine receptor type 3, Histamine H1 receptor, and Voltage-gated potassium channel, Uniprot P32246, P35367, P51677, and Q12809
DOI: 10.7270/q2gh9k5t
title: BindingDB Entry 50041677: N-alkyl-5H-pyrido[4,3-b]indol-1-amines and derivatives as novel urotensin-II receptor antagonists.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Urotensin II receptor, and Voltage-gated potassium channel, Uniprot P08684, P10635, Q12809, and Q9UKP6
DOI: 10.7270/q2m909wp
title: BindingDB Entry 50041676: QSAR analysis of 1,3-diaryl-4,5,6,7-tetrahydro-2H-isoindole derivatives as selective COX-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase-2 (COX-2), Uniprot Q05769
DOI: 10.7270/q2qj7jd9
title: BindingDB Entry 50040426: 4-Substituted-2-phenylquinazolines as inhibitors of BCRP.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2 and Multidrug resistance-associated protein 1, Uniprot P33527 and Q9UNQ0
DOI: 10.7270/q2rr20d5
title: BindingDB Entry 50040952: Optimization of thiazole analogues of resveratrol for induction of NAD(P)H:quinone reductase 1 (QR1).

description: Small molecule binding data for protein Aromatase (CYP19) and Nitric Oxide Synthase, inducible, Uniprot P11511 and P29477
DOI: 10.7270/q2v9896x
title: BindingDB Entry 50040425: Formylated polyamines as peptidomimetics.

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/q2zk5hxc
title: BindingDB Entry 50041684: Quantitative three dimensional structure linear interaction energy model of 5'-O-[N-(salicyl)sulfamoyl]adenosine and the aryl acid adenylating enzyme MbtA.

description: Small molecule binding data for protein 2,3-dihydroxybenzoate-AMP ligase
DOI: 10.7270/q2000353
title: BindingDB Entry 50040036: (1aR,5aR)1a,3,5,5a-Tetrahydro-1H-2,3-diaza-cyclopropa[a]pentalene-4-carboxylic acid (MK-1903): a potent GPR109a agonist that lowers free fatty acids in humans.

description: Small molecule binding data for protein Hydroxycarboxylic acid receptor 2, Uniprot Q8TDS4
DOI: 10.7270/q22v2h7z
title: BindingDB Entry 50040431: Improving the affinity of naphthalene diimide ligand to telomeric DNA by incorporating Zn²¿ ions into its dipicolylamine groups.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q23r0tx5
title: BindingDB Entry 50040035: Modern phenotypic drug discovery is a viable, neoclassic pharma strategy.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2639qz5
title: BindingDB Entry 50041695: M3 muscarinic acetylcholine receptor antagonists: SAR and optimization of bi-aryl amines.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, and Muscarinic acetylcholine receptor M2, Uniprot P08172, P11229, and P20309
DOI: 10.7270/q26m37xt
title: BindingDB Entry 50040430: Cyclic tetrapeptides with thioacetate tails or intramolecular disulfide bridge as potent inhibitors of histone deacetylases.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 4, Uniprot A0A024QZ26, P56524, Q13547, and Q9UBN7
DOI: 10.7270/q2bk1dj3
title: BindingDB Entry 50040963: The discovery of a novel series of glucokinase activators based on a pyrazolopyrimidine scaffold.

description: Small molecule binding data for protein Hexokinase type IV and Voltage-gated potassium channel, Uniprot P35557 and Q12809
DOI: 10.7270/q2fj2j0j
title: BindingDB Entry 50041692: Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2g161x3
title: BindingDB Entry 50040428: Identification of a 2-phenyl-substituted octahydrobenzo[f]quinoline as a dopamine D3 receptor-selective full agonist ligand.

description: Small molecule binding data for protein Dopamine D1 and D2 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P21728, and P35462
DOI: 10.7270/q2gb257c
title: BindingDB Entry 50040962: Discovery of selective biaryl ethers as PDE10A inhibitors: improvement in potency and mitigation of Pgp-mediated efflux.

description: Small molecule binding data for protein Phosphodiesterase 3 (PDE3), cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, and cGMP-dependent 3',5'-cyclic phosphodiesterase, Uniprot O00408, Q08499, Q14432, and Q9Y233
DOI: 10.7270/q2js9rj6
title: BindingDB Entry 50040435: Synthesis, biological activity and structure-activity relationship of endomorphin-1/substance P derivatives.

description: Small molecule binding data for protein Delta-type opioid receptor and Mu-type opioid receptor, Uniprot P35372 and P41143
DOI: 10.7270/q2k938r9
title: BindingDB Entry 50041691: Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.

description: Small molecule binding data for protein Retinoid X receptor gamma/retinoic acid receptor alpha and Retinoid receptor, Uniprot P10276, P10826, and P13631