cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q20003rq
title: BindingDB Entry 50045517: Design, synthesis and antiproliferative activity evaluation of m-(4-morpholinyl-1,3,5-triazin-2-yl)benzamides in vitro.

description: Small molecule binding data for protein PI3-kinase subunit alpha, Uniprot P42336
DOI: 10.7270/q20866x7
title: BindingDB Entry 50045066: TBA

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot Q08499
DOI: 10.7270/q2251kxg
title: BindingDB Entry 50046035: Design, synthesis, and anticonvulsant activity of new hybrid compounds derived from 2-(2,5-dioxopyrrolidin-1-yl)propanamides and 2-(2,5-dioxopyrrolidin-1-yl)butanamides.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2571dhn
title: BindingDB Entry 50044041: Synthesis and insecticidal activity of novel carbamate derivatives as potential dual-binding site acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase
DOI: 10.7270/q25x2bnw
title: BindingDB Entry 50046034: One-pot reaction to obtain N,N'-disubstituted guanidines of pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine scaffold as human A3 adenosine receptor antagonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q28w3ftb
title: BindingDB Entry 50044040: The cation transporters rOCT1 and rOCT2 interact with bicarbonate but play only a minor role for amantadine uptake into rat renal proximal tubules.

description: Small molecule binding data for protein Adrenaline alpha1 and Adrenaline alpha2, Uniprot Q63089 and Q9R0W2
DOI: 10.7270/q2b859sd
title: BindingDB Entry 50045522: Development of a time-resolved fluorescence probe for evaluation of competitive binding to the cholecystokinin 2 receptor.

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P32239
DOI: 10.7270/q2bk1f0b
title: BindingDB Entry 50045071: Part I. Synthesis, biological evaluation and docking studies of new 2-furylbenzimidazoles as antiangiogenic agents.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q2c24xt5
title: BindingDB Entry 50043395: Design, synthesis, biological evaluation and docking study of 5-oxo-4,5-dihydropyrano[3,2-c]chromene derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2dn46j2
title: BindingDB Entry 50044039: Molecular identification of a rat novel organic anion transporter moat1, which transports prostaglandin D(2), leukotriene C(4), and taurocholate.

description: Small molecule binding data for protein Solute carrier organic anion transporter family member 2B1, Uniprot Q9JHI3
DOI: 10.7270/q2f1918d
title: BindingDB Entry 50044544: Synthesis and in vivo SAR study of indolin-2-one-based multi-targeted inhibitors as potential anticancer agents.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, AXL receptor tyrosine kinase, Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 3, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Macrophage colony stimulating factor receptor, PTK2B protein tyrosine kinase 2 beta (PTK2B), Phosphorylase kinase, Platelet-derived growth factor receptor beta, SRC, Serine/threonine-protein kinase Chk1, Tyrosine-protein kinase ABL, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, Vascular endothelial growth factor receptor, Vascular endothelial growth factor receptor 2, and Voltage-gated potassium channel, Uniprot L7RSL3, O14757, P00519, P06239, P06241, P07333, P07949, P09619, P10721, P11362, P15735, P17948, P22607, P30530, P35916, P35968, P36888, P42684, Q05397, Q12809, Q14289, and Q9UM73
DOI: 10.7270/q2g162h4
title: BindingDB Entry 50045521: Dual inhibition of allosteric mitogen-activated protein kinase (MEK) and phosphatidylinositol 3-kinase (PI3K) oncogenic targets with a bifunctional inhibitor.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Dual specificity mitogen-activated protein kinase kinase 1, Epidermal growth factor receptor, and Protein kinase C alpha type, Uniprot P00533, P17252, Q02750, and Q96GD4
DOI: 10.7270/q2gt5pk1
title: BindingDB Entry 50043394: Discovery of cyclic sulfoxide hydroxyethylamines as potent and selectiveß-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloidß-peptides.

description: Small molecule binding data for protein Cathepsin D, Uniprot P07339
DOI: 10.7270/q2js9s0f
title: BindingDB Entry 50044543: 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-containing compounds having high potency against raltegravir-resistant integrase mutants of HIV-1.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q2ks6t6q
title: BindingDB Entry 50045520: A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P43166, and Q16790
DOI: 10.7270/q2m0473z
title: BindingDB Entry 50045069: Modulators of the nuclear receptor retinoic acid receptor-related orphan receptor-¿ (ROR¿ or RORc).

description: Small molecule binding data for protein Bile acid receptor FXR, Liver X receptor (LXR alpha AND LXR beta), Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, Nuclear receptor ROR-gamma, and Pregnane X receptor (PXR), Uniprot O75469, P35398, P51449, P51450, P55055, Q13133, Q6I9R9, Q92753, and Q96RI1
DOI: 10.7270/q2mk6f9r
title: BindingDB Entry 50043393: Synthesis and biological analysis of benzazol-2-yl piperazine sulfonamides as 11ß-hydroxysteroid dehydrogenase 1 inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845
DOI: 10.7270/q2nz89cv
title: BindingDB Entry 50046038: Novel 2,5-disubtituted-1,3,4-oxadiazoles with benzimidazole backbone: a new class ofß-glucuronidase inhibitors and in silico studies.

description: Small molecule binding data for protein beta-Glucuronidase (β-glucuronidase), Uniprot P08236
DOI: 10.7270/q2pk0hq9
title: BindingDB Entry 50044542: Oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad spectrum antibacterial agents.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2qf8vkm
title: BindingDB Entry 50045519: Development of 2-amino-5-phenylthiophene-3-carboxamide derivatives as novel inhibitors of Mycobacterium tuberculosis DNA GyrB domain.

description: Small molecule binding data for protein DNA gyrase subunit B, Uniprot P0C559
DOI: 10.7270/q2qr4zrp
title: BindingDB Entry 50045068: Aldosterone synthase inhibitors as promising treatments for mineralocorticoid dependent cardiovascular and renal diseases.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 11B2, Cytochrome P450 1A, Cytochrome P450 3A, and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P05177, P08684, P11511, P15538, and P19099
DOI: 10.7270/q2rb761g
title: BindingDB Entry 50043392: The carbonate analogues of 5'-halogenated resiniferatoxin as TRPV1 ligands.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1 and Vanilloid receptor, Uniprot O35433 and Q8NER1
DOI: 10.7270/q2sx6fq4
title: BindingDB Entry 50044036: Biologically active triterpenoid saponins from Acanthopanax senticosus.

description: Small molecule binding data for protein Pancreatic lipase, Uniprot P16233
DOI: 10.7270/q2tb18gg
title: BindingDB Entry 50044541: Discovery of a New Series of Naphthamides as Potent VEGFR-2 Kinase Inhibitors.

description: Small molecule binding data for protein Ephrin receptor, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 1, Insulin-like growth factor I receptor, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Receptor tyrosine-protein kinase erbB-4 (HER4), Tyrosine-protein kinase ABL1, Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P00519, P00533, P04626, P07949, P08069, P09619, P11362, P12931, P16234, P17948, P29317, P35968, P36888, and Q15303
DOI: 10.7270/q2v69m8w
title: BindingDB Entry 50045518: Synthesis and biological evaluation of isoxazoline derivatives as potent M1 muscarinic acetylcholine receptor agonists.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P11229
DOI: 10.7270/q2vh5qfz
title: BindingDB Entry 50045067: Peripherally restricted CB1 receptor blockers.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 1, Uniprot P20272 and P21554
DOI: 10.7270/q2w37xqz
title: BindingDB Entry 50043391: Synthesis, resolution, and biological evaluation of atropisomeric (aR)- and (aS)-16-methyllamellarins N: unique effects of the axial chirality on the selectivity of protein kinases inhibition.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Dual specificity protein kinase CLK3, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, and Serine/threonine-protein kinase PIM, Uniprot O35492, P11309, Q00535, Q13627, and Q15078
DOI: 10.7270/q2xd13fk
title: BindingDB Entry 50046036: Structure-Based Design of¿-Carboline Analogues as Potent and Specific BET Bromodomain Inhibitors.

description: Small molecule binding data for protein ATPase family AAA domain-containing protein 2, ATPase family AAA domain-containing protein 2B, Bromodomain adjacent to zinc finger domain protein 2B, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, CREB-binding protein/p53, Myeloid/lymphoid or mixed-lineage leukemia (MLL), Protein polybromo-1, Transcription activator BRG1, Transcription initiation factor TFIID subunit 1, and Transcription intermediary factor 1-alpha, Uniprot O15164, O60885, P21675, P25440, P51532, Q03164, Q15059, Q6PL18, Q86U86, Q92793, Q9UIF8, and Q9ULI0
DOI: 10.7270/q2z3217n
title: BindingDB Entry 50044540: Late-Stage C-H Coupling Enables Rapid Identification of HDAC Inhibitors: Synthesis and Evaluation of NCH-31 Analogues.

description: Small molecule binding data for protein Histone deacetylase and Histone deacetylase 1, Uniprot A0A024QZ26, Q13547, Q9UBN7, and Q9UKV0
DOI: 10.7270/q21g0nsx
title: BindingDB Entry 50044042: TBA

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P06276
DOI: 10.7270/q21v5gjd
title: BindingDB Entry 50044547: Polyhydroxyanthraquinones as quorum sensing inhibitors from the guttates of Penicillium restrictum and their analysis by desorption electrospray ionization mass spectrometry.

description: Small molecule binding data for protein Accessory gene regulator protein A, Uniprot P0A0I7
DOI: 10.7270/q22r3t9x
title: BindingDB Entry 50045524: Sulfonamide inhibition studies of the¿-carbonic anhydrase from the Antarctic cyanobacterium Nostoc commune.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2319xh6
title: BindingDB Entry 50045073: Rational design, synthesis and evaluation of chromone-indole and chromone-pyrazole based conjugates: identification of a lead for anti-inflammatory drug.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q23j3fdz
title: BindingDB Entry 50043397: Highly potent dipeptidyl peptidase IV inhibitors derived from Alogliptin through pharmacophore hybridization and lead optimization.

description: Small molecule binding data for protein Dipeptidyl peptidase IX and Dipeptidyl peptidase VIII, Uniprot Q6V1X1 and Q86TI2
DOI: 10.7270/q24x59jz
title: BindingDB Entry 50046042: Isolation of cholinesterase andß-secretase 1 inhibiting compounds from Lycopodiella cernua.

description: Small molecule binding data for protein Acetylcholinesterase, Beta-secretase 1, and Cholinesterase, Uniprot P06276, P22303, and P56817
DOI: 10.7270/q25m6784
title: BindingDB Entry 50044546: Guanidine-baseda2-adrenoceptor ligands: Towards selective antagonist activity.

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Uniprot P08913
DOI: 10.7270/q26h4k23
title: BindingDB Entry 50045523: Identification of novel inhibitors of Aurora A with a 3-(pyrrolopyridin-2-yl)indazole scaffold.

description: Small molecule binding data for protein CDK7/Cyclin H/MNAT1, Serine/threonine-protein kinase Aurora, and Serine/threonine-protein kinase Chk1, Uniprot O14757, O14965, and P50613
DOI: 10.7270/q26t0p8m
title: BindingDB Entry 50045072: Recent advances in the structural library of functionalized quinazoline and quinazolinone scaffolds: synthetic approaches and multifarious applications.

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC and Vascular endothelial growth factor receptor 2, Uniprot P12931 and P35968
DOI: 10.7270/q2794637
title: BindingDB Entry 50043396: Design, synthesis, docking study and biological evaluation of some novel tetrahydrochromeno [3',4':5,6]pyrano[2,3-b]quinolin-6(7H)-one derivatives against acetyl- and butyrylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q28p6277
title: BindingDB Entry 50046041: Synthesis and evaluation of tamoxifen derivatives with a long alkyl side chain as selective estrogen receptor down-regulators.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Uniprot P03372
DOI: 10.7270/q29888k4
title: BindingDB Entry 50044545: Design ofa7 nicotinic acetylcholine receptor ligands in quinuclidine, tropane and quinazoline series. Chemistry, molecular modeling, radiochemistry, in vitro and in rats evaluations of a [(18)F] quinuclidine derivative.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Uniprot Q05941
DOI: 10.7270/q2cr5vv2
title: BindingDB Entry 50044047: Synthesis of the quinoline-linked triazolopyrimidine analogues and their interactions with the recombinant tobacco acetolactate synthase.

description: Small molecule binding data for protein Acetolactate synthase, Uniprot P09114
DOI: 10.7270/q2df6sxq
title: BindingDB Entry 50046040: Combination of 4-anilinoquinazoline and rhodanine as novel epidermal growth factor receptor tyrosine kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2gb25nr
title: BindingDB Entry 50045070: Therapeutic melting pot of never in mitosis gene a related kinase 2 (Nek2): a perspective on Nek2 as an oncology target and recent advancements in Nek2 small molecule inhibition.

description: Small molecule binding data for protein Epidermal growth factor receptor and Serine/threonine-protein kinase Nek2, Uniprot P00533 and P51955
DOI: 10.7270/q2hd7x5g
title: BindingDB Entry 50044046: TBA

description: Small molecule binding data for protein NADH-ubiquinone oxidoreductase, Uniprot P03887
DOI: 10.7270/q2j67jnf
title: BindingDB Entry 50046039: Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.

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/q2js9s47
title: BindingDB Entry 50045528: Thieno[2,3-b]pyridines as negative allosteric modulators of metabotropic GluR5 receptors: Lead optimization.

description: Small molecule binding data for protein Metabotropic glutamate receptor, Uniprot P31424
DOI: 10.7270/q2kk9d78
title: BindingDB Entry 50043401: Synthesis and SAR studies of 5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine derivatives as potent inhibitors of Bloom helicase.

description: Small molecule binding data for protein ATP-dependent DNA helicase Q1, Bloom syndrome protein, and Werner syndrome ATP-dependent helicase, Uniprot P46063, P54132, and Q14191
DOI: 10.7270/q2n58nvb
title: BindingDB Entry 50044045: TBA

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2nk3gkx
title: BindingDB Entry 50044550: Discovery of a series of 2,5-diaminopyrimidine covalent irreversible inhibitors of Bruton's tyrosine kinase with in vivo antitumor activity.

description: Small molecule binding data for protein Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), JAK3/JAK1, Receptor tyrosine-protein kinase erbB-4 (HER4), SRC, Tyrosine-protein kinase BMX, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase TEC, and Tyrosine-protein kinase TXK (TXK), Uniprot P00533, P04626, P06239, P42680, P42681, P51451, P51813, P52333, Q06187, Q08881, and Q15303
DOI: 10.7270/q2pk0htn
title: BindingDB Entry 50045527: Design, syntheses, and pharmacological characterization of 17-cyclopropylmethyl-3,14ß-dihydroxy-4,5a-epoxy-6a-(isoquinoline-3'-carboxamido)morphinan analogues as opioid receptor ligands.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor (KOR), and Mu-type opioid receptor, Uniprot P32300, P33534, P35372, and P42866
DOI: 10.7270/q2qc04z4
title: BindingDB Entry 50043400: Heterocyclic glucocorticoid receptor modulators with a 2,2-dimethyl-3-phenyl-N-(thiazol or thiadiazol-2-yl)propanamide core.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q2rx9dkr
title: BindingDB Entry 50044044: TBA

description: Small molecule binding data for protein GABA receptor alpha-1/beta-3/gamma-2 subunit, GABA receptor alpha-2/beta-3/gamma-2 subunit, and GABA receptor alpha-5/beta-3/gamma-2 subunit, Uniprot P14867, P18507, P28472, P31644, and P47869
DOI: 10.7270/q2sb479n
title: BindingDB Entry 50044549: Probing of primed and unprimed sites of calpains: Design, synthesis and evaluation of epoxysuccinyl-peptide derivatives as selective inhibitors.

description: Small molecule binding data for protein Calpain1/2 and Cathepsin (B and K), Uniprot P07384 and P07858
DOI: 10.7270/q2sq923k
title: BindingDB Entry 50046037: Isolation and Pharmacological Evaluation of Minor Cannabinoids from High-Potency Cannabis sativa.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2th8pb1
title: BindingDB Entry 50045075: Biased ligand modulation of seven transmembrane receptors (7TMRs): functional implications for drug discovery.

description: Small molecule binding data for protein Histamine receptor (H4), Uniprot Q9H3N8
DOI: 10.7270/q2v40wn1
title: BindingDB Entry 50043399: Nonpeptidic propargylamines as inhibitors of lysine specific demethylase 1 (LSD1) with cellular activity.

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2wq0591
title: BindingDB Entry 50044043: The design and synthesis of inhibitors of adenosine 5'-monophosphate deaminase.

description: Small molecule binding data for protein AMP deaminase, AMP deaminase 1, and Adenosine deaminase, Uniprot O80452 and P56658
DOI: 10.7270/q2x3501c
title: BindingDB Entry 50044548: Aminoazabenzimidazoles, a novel class of orally active antimalarial agents.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, and Q12809
DOI: 10.7270/q2z039tx
title: BindingDB Entry 50045525: trans-(3S,4S)-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part I: prime site exploration using an amino linker.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2 (BACE2), Cathepsin D, Cathepsin E, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Mu-type opioid receptor, Pepsinogen A5, Pepsinogen C, and Renin, Uniprot P00797, P07339, P08684, P0DJD9, P10635, P11712, P14091, P20142, P33261, P35372, P56817, and Q9Y5Z0
DOI: 10.7270/q2z89f19
title: BindingDB Entry 50045074: Structure-activity relationship study of 4EGI-1, small molecule eIF4E/eIF4G protein-protein interaction inhibitors.

description: Small molecule binding data for protein Eukaryotic translation initiation factor 4E (eIF4E), Uniprot P06730
DOI: 10.7270/q2zw1nb0
title: BindingDB Entry 50043398: 6-Cyclohexylmethoxy-5-(cyano-NNO-azoxy)pyrimidine-4-amine: a new scaffold endowed with potent CDK2 inhibitory activity.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 7 (CDK7), and Cyclin-Dependent Kinase 9 (CDK9), Uniprot O60563, P06493, P14635, P50613, P50750, P51946, Q00535, and Q15078
DOI: 10.7270/q20g3mp0
title: BindingDB Entry 50044050: Discovery of 5-benzyl-3-phenyl-4,5-dihydroisoxazoles and 5-benzyl-3-phenyl-1,4,2-dioxazoles as potent firefly luciferase inhibitors.

description: Small molecule binding data for protein Luciferin 4-monooxygenase, Uniprot P08659
DOI: 10.7270/q20v8fb4
title: BindingDB Entry 50044555: Design, synthesis and pharmacological evaluation of novel substituted quinoline-2-carboxamide derivatives as human dihydroorotate dehydrogenase (hDHODH) inhibitors and anticancer agents.

description: Small molecule binding data for protein Dihydroorotate dehydrogenase, Uniprot Q02127
DOI: 10.7270/q2183878
title: BindingDB Entry 50046043: Recent advances for FLAP inhibitors.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P20292
DOI: 10.7270/q21r6s60
title: BindingDB Entry 50045532: Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinyl amides as potent and long acting muscarinic antagonists.

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/q2474cdq
title: BindingDB Entry 50044049: Structure-activity relationships in 1,4-benzodioxan-related compounds. 11. (1) reversed enantioselectivity of 1,4-dioxane derivatives ina1-adrenergic and 5-HT1A receptor binding sites recognition.

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/q24m9639
title: BindingDB Entry 50044554: Polyketides from the cultured lichen mycobiont of a Vietnamese Pyrenula sp.

description: Small molecule binding data for protein DNA polymerase beta, Uniprot P06766
DOI: 10.7270/q25h7hx9
title: BindingDB Entry 50045531: Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.

description: Small molecule binding data for protein Epoxide hydratase and Epoxide hydrolase 2, Uniprot P34913 and P80299