cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/lutgsyamtqujga-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C9H11N5O2/c1-6-3-9(12-10-6)14-4-8(11-13-14)5-16-7(2)15/h3-4H,5H2,1-2H3,(H,10,12)

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/lutgsyamtqujga-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C9H11N5O2/c1-6-3-9(12-10-6)14-4-8(11-13-14)5-16-7(2)15/h3-4H,5H2,1-2H3,(H,10,12)

description: dataset for infrared absorption spectroscopy (IR)
 
 IR (ATR, ṽ) = 3203 (w), 3174 (w), 3152 (w), 3104 (w), 3064 (w), 2969 (w), 2912 (w), 2868 (w), 2772 (w), 1734 (vs), 1659 (w), 1594 (w), 1558 (w), 1538 (m), 1475 (w), 1438 (m), 1431 (w), 1395 (m), 1367 (m), 1332 (w), 1299 (w), 1281 (w), 1242 (vs), 1227 (vs), 1218 (vs), 1176 (m), 1054 (vs), 1037 (vs), 1026 (s), 1014 (s), 999 (vs), 959 (s), 948 (vs), 834 (vs), 823 (vs), 775 (vs), 765 (vs), 701 (m), 677 (m), 636 (s), 606 (m), 550 (w), 507 (m), 492 (w), 418 (w), 401 (w), 391 (w) cm–1.
DOI: 10.14272/lutgsyamtqujga-uhfffaoysa-n.1
title: (1-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,3-triazol-4-yl)methyl acetate
title: InChI=1S/C9H11N5O2/c1-6-3-9(12-10-6)14-4-8(11-13-14)5-16-7(2)15/h3-4H,5H2,1-2H3,(H,10,12)

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C9H11N5O2/c1-6-3-9(12-10-6)14-4-8(11-13-14)5-16-7(2)15/h3-4H,5H2,1-2H3,(H,10,12), and canonical SMILES descriptor[cheminf_000007]: CC(=O)OCc1nnn(c1)c1n[nH]c(c1)C, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-18624

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 97.0 - 124.0 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000601 | heteronuclear multiple bond coherence (HMBC)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/lutgsyamtqujga-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C9H11N5O2/c1-6-3-9(12-10-6)14-4-8(11-13-14)5-16-7(2)15/h3-4H,5H2,1-2H3,(H,10,12)

description: dataset for mass spectrometry (MS)
 
 MS (EI, 70 eV, 120 °C), m/z (%): 221 (7) [M]+, 181 (15), 151 (37), 150 (55), 134 (100), 131 (14), 123 (19), 108 (20), 82 (16), 69 (14).HRMS–EI (C9H11O2N5) (m/z): [M]+ Calcd 221.0907; Found 221.0909.
DOI: 10.14272/lutgsyamtqujga-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C9H11N5O2/c1-6-3-9(12-10-6)14-4-8(11-13-14)5-16-7(2)15/h3-4H,5H2,1-2H3,(H,10,12)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 11.13 (s, 1H), 8.26 (s, 1H), 6.49 (s, 1H), 5.28 (s, 2H), 2.39 (s, 3H), 2.08 (s, 3H).
DOI: 10.14272/lutgsyamtqujga-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C9H11N5O2/c1-6-3-9(12-10-6)14-4-8(11-13-14)5-16-7(2)15/h3-4H,5H2,1-2H3,(H,10,12)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/lutgsyamtqujga-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C9H11N5O2/c1-6-3-9(12-10-6)14-4-8(11-13-14)5-16-7(2)15/h3-4H,5H2,1-2H3,(H,10,12)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/lutgsyamtqujga-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C9H11N5O2/c1-6-3-9(12-10-6)14-4-8(11-13-14)5-16-7(2)15/h3-4H,5H2,1-2H3,(H,10,12)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 171.0, 147.0, 142.8, 141.7, 121.7, 96.2, 57.5, 20.9, 11.3.
DOI: 10.14272/vsyupfqkdfvqcm-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C12H8N6/c13-6-10-7-14-16-12(10)18-8-11(15-17-18)9-4-2-1-3-5-9/h1-5,7-8H,(H,14,16)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vsyupfqkdfvqcm-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C12H8N6/c13-6-10-7-14-16-12(10)18-8-11(15-17-18)9-4-2-1-3-5-9/h1-5,7-8H,(H,14,16)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 13C NMR (100 MHz, DMSO-d6 [39.5 ppm], ppm) δ = 147.1, 145.8, 138.5, 129.6, 129.0 (2C), 128.5, 125.6 (2C), 119.8, 112.4, 83.6.
DOI: 10.14272/vsyupfqkdfvqcm-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C12H8N6/c13-6-10-7-14-16-12(10)18-8-11(15-17-18)9-4-2-1-3-5-9/h1-5,7-8H,(H,14,16)

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vsyupfqkdfvqcm-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C12H8N6/c13-6-10-7-14-16-12(10)18-8-11(15-17-18)9-4-2-1-3-5-9/h1-5,7-8H,(H,14,16)

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.6084/m9.figshare.13336204
title: Additional file 2 of The first familial NSD2 cases with a novel variant in a Chinese father and daughter with atypical WHS facial features and a 7.5-year follow-up of growth hormone therapy

description: Additional file 2: Table S2. GH therapy outcome of the proband.
DOI: 10.7270/q2dn47sm
title: BindingDB Entry 50003448: Design, synthesis, and biochemical evaluation of N-substituted maleimides as inhibitors of prostaglandin endoperoxide synthases.

description: Small molecule binding data for protein Cyclooxygenase, Uniprot P23219 and P35354
DOI: 10.7270/q2571fr6
title: BindingDB Entry 50003450: Non-peptide cholecystokinin-B/gastrin receptor antagonists based on bicyclic, heteroaromatic skeletons.

description: Small molecule binding data for protein Cholecystokinin A receptor and Cholecystokinin receptor, Uniprot P56481, Q3ZB46, and Q63931
DOI: 10.7270/q29026hc
title: BindingDB Entry 50003449: Mapping the melatonin receptor. 4. Comparison of the binding affinities of a series of substituted phenylalkyl amides.

description: Small molecule binding data for protein Melatonin receptor type 1C, Uniprot P49288
DOI: 10.7270/q21g0q0f
title: BindingDB Entry 50003451: 2-(Hydroxyalkyl)estradiols: synthesis and biological evaluation.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q2wq06h4
title: BindingDB Entry 50003452: Three-dimensional quantitative structure-activity relationship of melatonin receptor ligands: a comparative molecular field analysis study.

description: Small molecule binding data for protein Melatonin receptor type 1C, Uniprot P49288
DOI: 10.7270/q2n58q2v
title: BindingDB Entry 50003454: Probing the active sites of monoamine oxidase A and B with 1,4-disubstituted tetrahydropyridine substrates and inactivators.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A and Monoamine oxidase, Uniprot P21397, P56560, and Q53YE7
DOI: 10.7270/q2rx9fsv
title: BindingDB Entry 50003453: Novel heterocyclic-fused pyridazinones as potent and selective phosphodiesterase IV inhibitors.

description: Small molecule binding data for protein Phosphodiesterase 3, Phosphodiesterase 4, and cAMP-specific 3',5'-cyclic phosphodiesterase 4C, Uniprot A0A140VJR0, P14644, P27815, Q07343, Q08493, Q08499, Q13370, Q14432, and X5DNX5
DOI: 10.7270/q2hd7zck
title: BindingDB Entry 50003455: Conformationally restrained melatonin analogues: synthesis, binding affinity for the melatonin receptor, evaluation of the biological activity, and molecular modeling study.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039 and P49286
DOI: 10.7270/q28055bj
title: BindingDB Entry 50003457: (2-Methyl-5-(methylsulfonyl)benzoyl)guanidine Na+/H+ antiporter inhibitors.

description: Small molecule binding data for protein Sodium/hydrogen exchanger and Sodium/hydrogen exchanger 3, Uniprot P23791, P26432, and P50482
DOI: 10.7270/q2cr5x2k
title: BindingDB Entry 50003456: 1-(2-Alkanamidoethyl)-6-methoxyindole derivatives: a new class of potent indole melatonin analogues.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039 and P49286
DOI: 10.7270/q2474dkc
title: BindingDB Entry 50003458: (S)-(+)-4-[7-(2,2-dimethyl-1-oxopropoxy)-4-methyl-2-[4-[2-(1-piperidinyl)-ethoxy]phenyl]-2H-1-benzopyran-3-yl]-phenyl 2,2-dimethylpropanoate (EM-800): a highly potent, specific, and orally active nonsteroidal antiestrogen.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q20g3nvn
title: BindingDB Entry 50003459: Steroidal affinity labels of the estrogen receptor. 3. Estradiol 11 beta-n-alkyl derivatives bearing a terminal electrophilic group: antiestrogenic and cytotoxic properties.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q2vq35cr
title: BindingDB Entry 50003460: Synthesis of analogs of 2-methoxyestradiol with enhanced inhibitory effects on tubulin polymerization and cancer cell growth.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1, Uniprot Q862L2
DOI: 10.7270/q2qz2dn1
title: BindingDB Entry 50003461: A novel series of 2,5-substituted tryptamine derivatives as vascular 5HT1B/1D receptor antagonists.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, Adrenergic receptor alpha-2, Adrenergic receptor beta, Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor, Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a), Dopamine receptors; D1 & D2, Serotonin (5-HT) receptor, Serotonin 1 (5-HT1) receptor, and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P08909, P10608, P14842, P15823, P18090, P18901, P19327, P19328, P22086, P23944, P26255, P28221, P43140, and P61169
DOI: 10.7270/q2m61nz2
title: BindingDB Entry 50003462: Identification of highly potent retinoic acid receptor alpha-selective antagonists.

description: Small molecule binding data for protein Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta, Retinoic acid receptor RXR-alpha/gamma, and Retinoic acid receptor alpha/Retinoid X receptor alpha, Uniprot A8K3H3, P10276, P10826, P13631, and Q6I9R7
DOI: 10.7270/q2br8vxs
title: BindingDB Entry 50003464: Design and synthesis of novel imidazole-substituted dipeptide amides as potent and selective inhibitors of Candida albicans myristoylCoA:protein N-myristoyltransferase and identification of related tripeptide inhibitors with mechanism-based antifungal activity.

description: Small molecule binding data for protein Peptide N-myristoyltransferase, Uniprot O60551 and P30419
DOI: 10.7270/q2gh9mpz
title: BindingDB Entry 50003463: The chemistry of pseudomonic acid. 18. Heterocyclic replacement of the alpha,beta-unsaturated ester: synthesis, molecular modeling, and antibacterial activity.

description: Small molecule binding data for protein Isoleucyl-tRNA synthetase, Uniprot A0A658XPC4 and P41972
DOI: 10.7270/q270845q
title: BindingDB Entry 50003465: Novel agonists of 5HT2C receptors. Synthesis and biological evaluation of substituted 2-(indol-1-yl)-1-methylethylamines and 2-(indeno[1,2-b]pyrrol-1-yl)-1-methylethylamines. Improved therapeutics for obsessive compulsive disorder.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2C, and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P08909, P28223, and P28335
DOI: 10.7270/q2377cf0
title: BindingDB Entry 50003466: Fused pyrrolo[2,3-c]carbazol-6-ones: novel immunostimulants that enhance human interferon-gamma activity.

description: Small molecule binding data for protein Protein kinase C (PKC), Uniprot P09217
DOI: 10.7270/q2zg6vz9
title: BindingDB Entry 50003467: Medetomidine analogs as alpha 2-adrenergic ligands. 3. Synthesis and biological evaluation of a new series of medetomidine analogs and their potential binding interactions with alpha 2-adrenoceptors involving a "methyl pocket".

description: Small molecule binding data for protein Adrenergic receptor alpha-2 and Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor, Uniprot P15823, P19328, P22086, P23944, and P43140
DOI: 10.7270/q2tq648t
title: BindingDB Entry 50003468: Antitumor agents. 178. Synthesis and biological evaluation of substituted 2-aryl-1,8-naphthyridin-4(1H)-ones as antitumor agents that inhibit tubulin polymerization.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1, Uniprot Q862L2
DOI: 10.7270/q2pz5ckj
title: BindingDB Entry 50003469: Structure-activity relationships of selective estrogen receptor modulators: modifications to the 2-arylbenzothiophene core of raloxifene.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q2k93b7d
title: BindingDB Entry 50003470: Selective inhibitors of cyclic AMP-specific phosphodiesterase: heterocycle-condensed purines.

description: Small molecule binding data for protein Phosphodiesterase 1, Phosphodiesterase 3, and Phosphodiesterase 4, Uniprot A0A024RB59, A0A140VJR0, P27815, P54750, Q01064, Q07343, Q08493, Q08499, Q13370, Q14123, Q14432, and X5DNX5
DOI: 10.7270/q2fj2khp
title: BindingDB Entry 50003471: DNA gyrase inhibitory and antimicrobial activities of some diphenic acid monohydroxamides.

description: Small molecule binding data for protein DNA topoisomerase II, Uniprot Q02880
DOI: 10.7270/q29s1trh
title: BindingDB Entry 50003472: Inhibition of tubulin polymerization by 5,6-dihydroindolo[2,1-alpha]isoquinoline derivatives.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1, Uniprot Q862L2
DOI: 10.7270/q2280b95
title: BindingDB Entry 50003474: Synthesis and biological evaluation of 4-(hydroxyalkyl)estradiols and related compounds.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q261131w
title: BindingDB Entry 50003473: Synthesis and pharmacological comparison of dimethylheptyl and pentyl analogs of anandamide.

description: Small molecule binding data for protein Cannabinoid receptor, Uniprot C6G964, P20272, and Q9QZN9
DOI: 10.7270/q2sq934f
title: BindingDB Entry 50003476: Muscarinic analgesics with potent and selective effects on the gastrointestinal tract: potential application for the treatment of irritable bowel syndrome.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Uniprot P08482, P08483, P08485, P08911, and P10980
DOI: 10.7270/q2xg9tvc
title: BindingDB Entry 50003475: Antimuscarinic 3-(2-furanyl)quinuclidin-2-ene derivatives: synthesis and structure-activity relationships.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Uniprot A0A024R3W1, A0A024R9I2, A4D1Q0, P08172, P08173, P08912, P11229, P20309, and Q53XZ3
DOI: 10.7270/q2p271tb
title: BindingDB Entry 50003477: New 2-piperazinylbenzimidazole derivatives as 5-HT3 antagonists. Synthesis and pharmacological evaluation.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a), Serotonin 1 (5-HT1) receptor, Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, and Serotonin 4 (5-HT4) receptor, Uniprot O70528, P14842, P19327, P35563, P61169, and Q9JJ16
DOI: 10.7270/q2dj5jbv
title: BindingDB Entry 50003479: Substituted indole-2-carboxylates as in vivo potent antagonists acting as the strychnine-insensitive glycine binding site.

description: Small molecule binding data for protein Ionotropic glutamate receptor NMDA1/2A/2B, Uniprot P35439
DOI: 10.7270/q2j96931
title: BindingDB Entry 50003478: Effects of log P and phenyl ring conformation on the binding of 5-phenylhydantoins to the voltage-dependent sodium channel.

description: Small molecule binding data for protein Sodium channel protein type I I alpha subunit, Uniprot P04774, P04775, and P08104
DOI: 10.7270/q28s4sm4
title: BindingDB Entry 50003480: Design, synthesis, and biological activities of four angiotensin II receptor ligands with gamma-turn mimetics replacing amino acid residues 3-5.

description: Small molecule binding data for protein Angiotensin II receptor (AT-1) type-1, Uniprot P25095 and P29089
DOI: 10.7270/q25141xj
title: BindingDB Entry 50003481: Synthesis and structure-activity relationships of carboxylated chalcones: a novel series of CysLT1 (LTD4) receptor antagonists.

description: Small molecule binding data for protein Cysteinyl leukotriene receptor, Uniprot Q5KU17, Q9NS75, and Q9Y271
DOI: 10.7270/q218397p
title: BindingDB Entry 50003482: Cytotoxicity and antiestrogenicity of a novel series of basic diphenylethylenes.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q2rv0rf0
title: BindingDB Entry 50003484: Syntheses and biological evaluation of indolocarbazoles, analogues of rebeccamycin, modified at the imide heterocycle.

description: Small molecule binding data for protein Protein kinase C (PKC), Uniprot A0A024R328, L7RSM7, L7RTI5, O94806, P05129, P05771, P17252, P24723, P41743, Q02156, Q04759, Q05513, Q05655, and Q15139
DOI: 10.7270/q2wm1h48
title: BindingDB Entry 50003483: Novel and selective 5-HT2C/2B receptor antagonists as potential anxiolytic agents: synthesis, quantitative structure-activity relationships, and molecular modeling of substituted 1-(3-pyridylcarbamoyl)indolines.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, and 5-hydroxytryptamine receptor 2C, Uniprot P28223, P28335, and P41595
DOI: 10.7270/q2n300qz
title: BindingDB Entry 50003485: Antineoplastic agents. 379. Synthesis of phenstatin phosphate.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1, Uniprot Q862L2
DOI: 10.7270/q2cj8h7x
title: BindingDB Entry 50003487: Arylpiperazines with serotonin-3 antagonist activity: a comparative molecular field analysis.

description: Small molecule binding data for protein Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot P35563 and Q9JJ16
DOI: 10.7270/q2h997z7
title: BindingDB Entry 50003486: Antitumor agents. 185. Synthesis and biological evaluation of tridemethylthiocolchicine analogues as novel topoisomerase II inhibitors.

description: Small molecule binding data for protein DNA topoisomerase II, Uniprot P11388 and Q02880
DOI: 10.7270/q27s7rh6
title: BindingDB Entry 50003488: 7-Oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridines as novel inhibitors of human eosinophil phosphodiesterase.

description: Small molecule binding data for protein Phosphodiesterase 4, Uniprot A0A140VJR0, P27815, Q07343, Q08493, Q08499, and X5DNX5
DOI: 10.7270/q20c4zgs
title: BindingDB Entry 50003490: Discovery and preclinical pharmacology of a novel, potent, nonsteroidal estrogen receptor agonist/antagonist, CP-336156, a diaryltetrahydronaphthalene.

description: Small molecule binding data for protein Estrogen receptor, Uniprot P06211 and Q62986
DOI: 10.7270/q24170tm
title: BindingDB Entry 50003489: Identification of a dihydropyridine as a potent alpha1a adrenoceptor-selective antagonist that inhibits phenylephrine-induced contraction of the human prostate.

description: Small molecule binding data for protein Adenosine receptor A1/Alpha-2A adrenergic receptor, Adrenergic receptor, and Voltage-dependent L-type calcium channel subunit alpha-1S, Uniprot B0ZBE0, P08913, P18089, P18825, P25100, P35348, P35368, Q02485, and Q4W594
DOI: 10.7270/q2vm4g0w
title: BindingDB Entry 50003491: Substituted salicylanilides as inhibitors of two-component regulatory systems in bacteria.

description: Small molecule binding data for protein Sporulation kinase A, Uniprot P16497
DOI: 10.7270/q2qv3q85
title: BindingDB Entry 50003492: Novel combretastatin analogues effective against murine solid tumors: design and structure-activity relationships.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1, Uniprot Q862L2
DOI: 10.7270/q2m32zh9
title: BindingDB Entry 50003493: Synthesis and pharmacological characterization of O-alkynyloximes of tropinone and N-methylpiperidinone as muscarinic agonists.

description: Small molecule binding data for protein Muscarinic receptor M1 and M2 and Muscarinic receptor M2 and M3, Uniprot P08482, P08483, and P10980
DOI: 10.7270/q2gb26sz
title: BindingDB Entry 50003494: Synthesis and antitumor activity of 4-aminomethylthioxanthenone and 5-aminomethylbenzothiopyranoindazole derivatives.

description: Small molecule binding data for protein DNA topoisomerase II, Uniprot P11388 and Q02880
DOI: 10.7270/q2bk1g33
title: BindingDB Entry 50003495: Bicyclic acylguanidine Na+/H+ antiporter inhibitors.

description: Small molecule binding data for protein Sodium/hydrogen exchanger 3, Uniprot P26432
DOI: 10.7270/q26t0qdt
title: BindingDB Entry 50003496: Panepophenanthrin, from a mushroom strain, a novel inhibitor of the ubiquitin-activating enzyme.

description: Small molecule binding data for protein Ubiquitin-like modifier-activating enzyme 1, Uniprot A0A024R1A3 and P22314
DOI: 10.7270/q2348p3k
title: BindingDB Entry 50003497: Two new carbazole alkaloids from Murraya koenigii.

description: Small molecule binding data for protein Cathepsin (B and K), Uniprot A0A024R374 and P07858
DOI: 10.7270/q2tm7dv3
title: BindingDB Entry 50003499: Design, synthesis, and biological activities of new thieno[3,2-d] pyrimidines as selective type 4 phosphodiesterase inhibitors.

description: Small molecule binding data for protein Phosphodiesterase 3, Phosphodiesterase 4, and cAMP-specific 3',5'-cyclic phosphodiesterase 4C, Uniprot A0A140VJR0, P14644, P27815, Q07343, Q08493, Q08499, Q13370, Q14432, and X5DNX5
DOI: 10.7270/q2zc85m8
title: BindingDB Entry 50003498: Melatonin receptor ligands: synthesis of new melatonin derivatives and comprehensive comparative molecular field analysis (CoMFA) study.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039 and P49286
DOI: 10.7270/q2pv6p3b
title: BindingDB Entry 50003500: Synthesis and modeling studies of a potent conformationally rigid muscarinic agonist: 1-azabicyclo[2.2.1]heptanespirofuranone.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Uniprot P08482, P08483, P08485, P08911, and P10980