cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q23b61wb
title: BindingDB Entry 50045996: Semisynthetic Studies on and Biological Evaluation of N-Methyllaurotetanine Analogues as Ligands for 5-HT Receptors.

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 7 (5-HT7), 5-hydroxytryptamine receptor 1A, Adrenergic alpha1B, Alpha-2C adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Dopamine D1 and D2 receptor, Dopamine receptor, Serotonin (5-HT) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P07550, P08908, P18825, P21728, P23975, P28223, P28335, P31645, P34969, P35368, P35462, P41595, P47898, P50406, Q01959, and Q4W594
DOI: 10.7270/q23x88bp
title: BindingDB Entry 50045485: Rat hormone sensitive lipase inhibition by cyclipostins and their analogs.

description: Small molecule binding data for protein Hormone-sensitive lipase (HSL), Uniprot P15304
DOI: 10.7270/q2445p3r
title: BindingDB Entry 50045034: Hydroxamic acid based histone deacetylase inhibitors with confirmed activity against the malaria parasite.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 3/NCoR1, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, Q13547, Q92769, Q969S8, Q96DB2, Q9BY41, and Q9UBN7
DOI: 10.7270/q269753n
title: BindingDB Entry 50044001: Synthesis and pharmacological characterization of bivalent ligands of epibatidine at neuronal nicotinic acetylcholine receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-2/beta-4 subunit, Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, and Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit, Uniprot P04757, P09483, P12389, P12390, and P12392
DOI: 10.7270/q26q1ztf
title: BindingDB Entry 50044507: Amino derivatives of glycyrrhetinic acid as potential inhibitors of cholinesterases.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q27m09ms
title: BindingDB Entry 50045484: Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors.

description: Small molecule binding data for protein Heat shock protein HSP90, Uniprot P07900
DOI: 10.7270/q2b27wtk
title: BindingDB Entry 50044000: Synthesis of quinolinyl/isoquinolinyl[a]pyrrolo [3,4-c] carbazoles as cyclin D1/CDK4 inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802 and P24385
DOI: 10.7270/q2bc417k
title: BindingDB Entry 50045491: 6,7-Dihydrobenzo[f]benzo[4,5]imidazo[1,2-d][1,4]oxazepine derivatives as selective inhibitors of PI3Ka.

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/q2bg2qkm
title: BindingDB Entry 50044506: Discovery of N-sulfonyl-7-azaindoline derivatives as potent, orally available and selective M(4) muscarinic acetylcholine receptor agonists.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2 and M4, and Voltage-gated potassium channel, Uniprot P08173, P11229, and Q12809
DOI: 10.7270/q2bp04dn
title: BindingDB Entry 50045040: Pyrrolopyrimidine Analogues as MKNK Inhibitors.

description: Small molecule binding data for protein MAP kinase-interacting serine/threonine-protein kinase MNK1, Uniprot Q9BUB5
DOI: 10.7270/q2c82brj
title: BindingDB Entry 50043364: TBA

description: Small molecule binding data for protein Angiotensin II type 1a (AT-1a) receptor, Uniprot P34976
DOI: 10.7270/q2ft8nkf
title: BindingDB Entry 50043999: Binding of nicotine and homoazanicotine analogues at neuronal nicotinic acetylcholinergic (nACh) receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483 and P12390
DOI: 10.7270/q2g73g9b
title: BindingDB Entry 50044505: A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).

description: Small molecule binding data for protein Catechol O-methyltransferase, Catechol O-methyltransferase (MB-COMT), and Catechol-O-methyltransferase, Uniprot O88587, P21964, and P22734
DOI: 10.7270/q2gf0w40
title: BindingDB Entry 50045039: Combination of novel imidazopyridazine mps-1 kinase inhibitors and bcl-2 family protein inhibitors.

description: Small molecule binding data for protein Dual specificity protein kinase TTK, Uniprot P33981
DOI: 10.7270/q2h133ft
title: BindingDB Entry 50043363: TBA

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q2k93970
title: BindingDB Entry 50046000: Steroidal Alkaloids from Veratrum nigrum Enhance Glucose Uptake in Skeletal Muscle Cells.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2kk9d95
title: BindingDB Entry 50043998: Novel N1-(benzyl)cinnamamidine derived NR2B subtype-selective NMDA receptor antagonists.

description: Small molecule binding data for protein Glutamate [NMDA] receptor subunit epsilon 2/zeta 1, Uniprot Q05586 and Q13224
DOI: 10.7270/q2kw5hqc
title: BindingDB Entry 50045489: Discovery of 7-azaindole derivatives as potent Orai inhibitors showing efficacy in a preclinical model of asthma.

description: Small molecule binding data for protein Calcium release-activated calcium channel, Uniprot Q96D31
DOI: 10.7270/q2m0470m
title: BindingDB Entry 50044504: Design, synthesis, and structure-activity relationships of pyridoquinazolinecarboxamides as RNA polymerase I inhibitors.

description: Small molecule binding data for protein DNA-directed RNA polymerase I subunit RPA1, Uniprot O95602
DOI: 10.7270/q2m61mwr
title: BindingDB Entry 50045038: Class II but Not Second Class-Prospects for the Development of Class II PI3K Inhibitors.

description: Small molecule binding data for protein DNA-dependent protein kinase, PI3-kinase subunit alpha, PI3-kinase subunit delta, PI3-kinase subunit gamma, Phosphatidylinositol 4-phosphate 3-kinase C2 alpha (PIK3C2A), Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide, and Serine/threonine-protein kinase mTOR, Uniprot O00329, O00443, O00750, P42336, P42345, P48736, and P78527
DOI: 10.7270/q2mp54q2
title: BindingDB Entry 50043362: TBA

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2qn68gj
title: BindingDB Entry 50045488: Novel thiazole-thiophene conjugates as adenosine receptor antagonists: synthesis, biological evaluation and docking studies.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, and P30542
DOI: 10.7270/q2qz2cm5
title: BindingDB Entry 50045037: Selective CB2 receptor agonists. Part 3: the optimization of a piperidine-based series that demonstrated efficacy in an in vivo neuropathic pain model.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, Cannabinoid receptor 2, Cannabinoid receptor 2 (CB2), Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P08684, P10635, P11712, P20272, P21554, P33261, P34972, and Q9QZN9
DOI: 10.7270/q2rf5wfd
title: BindingDB Entry 50043361: 1-substituted (Dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chromen-4-ones endowed with dual DNA-PK/PI3-K inhibitory activity.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, DNA-dependent protein kinase, PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, Serine-protein kinase ATM, Serine/threonine-protein kinase ATR, Serine/threonine-protein kinase mTOR, and Voltage-gated potassium channel, Uniprot O00329, P05177, P08684, P10635, P11712, P33261, P42336, P42338, P42345, P48736, P78527, Q12809, Q13315, and Q13535
DOI: 10.7270/q2tt4spb
title: BindingDB Entry 50045998: Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.

description: Small molecule binding data for protein Bile acid receptor FXR, Liver X receptor (LXR alpha AND LXR beta), Nuclear receptor ROR-beta, and Nuclear receptor ROR-gamma, Uniprot P51449, Q13133, Q6I9R9, Q92753, and Q96RI1
DOI: 10.7270/q2vd7111
title: BindingDB Entry 50044502: Synthesis and biological comparison of enantiomers of mepenzolate bromide, a muscarinic receptor antagonist with bronchodilatory and anti-inflammatory activities.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor and Muscarinic acetylcholine receptor M2, Uniprot P08172 and P20309
DOI: 10.7270/q2vd715t
title: BindingDB Entry 50045487: 3-Oxoisoxazole-2(3H)-carboxamides and isoxazol-3-yl carbamates: Resistance-breaking acetylcholinesterase inhibitors targeting the malaria mosquito, Anopheles gambiae.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2vq34bw
title: BindingDB Entry 50045036: Structure-based design of low-nanomolar PIM kinase inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309, Q86V86, and Q9P1W9
DOI: 10.7270/q2zk5jd2
title: BindingDB Entry 50045997: Neristatin 1 provides critical insight into bryostatin 1 structure-function relationships.

description: Small molecule binding data for protein Protein kinase C alpha type, Uniprot P17252
DOI: 10.7270/q20003hk
title: BindingDB Entry 50043367: Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead.

description: Small molecule binding data for protein CDK7/Cyclin H/MNAT1, CaM kinase I alpha, CaM kinase I delta, CaM kinase I gamma, Chaperone activity of bc1 complex-like, mitochondrial, Citron Rho-interacting kinase, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-dependent kinase 11A, Cytochrome P450 2C9, Death-associated protein kinase 1, Death-associated protein kinase 2, Death-associated protein kinase 3, Dual specificity mitogen-activated protein kinase kinase 4, Dual specificity mitogen-activated protein kinase kinase 6, Dual specificity protein kinase TTK, Extracellular signal-regulated kinase 5 (ERK5), Interferon-induced, double-stranded RNA-activated protein kinase, LIM domain kinase 1, LIM domain kinase 2, MAP kinase ERK2, MAP kinase-interacting serine/threonine-protein kinase MNK1, Mitogen-activated protein kinase 15, Mitogen-activated protein kinase 4, Mitogen-activated protein kinase 6, Myosin light chain kinase family member 4, NUAK family SNF1-like kinase 2, PITSLRE serine/threonine-protein kinase CDC2L1, Platelet-derived growth factor receptor beta, Ribosomal protein S6 kinase alpha 1, Serine/threonine-protein kinase 17A, Serine/threonine-protein kinase DCLK3, Serine/threonine-protein kinase NEK7, Serine/threonine-protein kinase Nek1, Serine/threonine-protein kinase Nek5, Tyrosine-protein kinase STK16 (STK16), and Uncharacterized aarF domain-containing protein kinase 4, Uniprot O14578, O43293, O75716, P06493, P09619, P11712, P14635, P19525, P21127, P28482, P31152, P33981, P45985, P50613, P52564, P53355, P53667, P53671, Q13164, Q14012, Q15418, Q16659, Q6P3R8, Q86YV6, Q8IU85, Q8NI60, Q8TD08, Q8TDX7, Q96D53, Q96NX5, Q96PY6, Q9BUB5, Q9C098, Q9H093, Q9UEE5, Q9UIK4, and Q9UQ88
DOI: 10.7270/q22b90sd
title: BindingDB Entry 50046004: Isolation and Characterization of Dammarane-Type Saponins from Gynostemma pentaphyllum and Their Inhibitory Effects on IL-6-Induced STAT3 Activation.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q22z1779
title: BindingDB Entry 50045493: Synthesis and SAR studies of analogues of 4-(3,3-dimethyl-butyrylamino)-3,5-difluoro-N-thiazol-2-yl-benzamide (Lu AA41063) as adenosine A2A receptor ligands with improved aqueous solubility.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, P29274, P30542, and P33261
DOI: 10.7270/q2377bb7
title: BindingDB Entry 50045042: RET Kinase Inhibitors May Treat Cancer and Gastrointestinal Disorders.

description: Small molecule binding data for protein Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Uniprot P07949
DOI: 10.7270/q23r0v9h
title: BindingDB Entry 50043366: TBA

description: Small molecule binding data for protein Glucagon receptor, Uniprot P47871
DOI: 10.7270/q2639rhr
title: BindingDB Entry 50046003: Inhibition of Human Prolyl Oligopeptidase Activity by the Cyclotide Psysol 2 Isolated from Psychotria solitudinum.

description: Small molecule binding data for protein Endopeptidase prolyl oligopeptidase (PREP), Uniprot P48147
DOI: 10.7270/q26q1zxs
title: BindingDB Entry 50045492: Potent and selective Bruton's tyrosine kinase inhibitors: discovery of GDC-0834.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot P35991 and Q06187
DOI: 10.7270/q26w9cqt
title: BindingDB Entry 50045041: Dual leucine zipper kinase inhibitors: potential treatments for neurodegenerative diseases.

description: Small molecule binding data for protein Protein delta homolog 1, Uniprot P80370
DOI: 10.7270/q27h1m17
title: BindingDB Entry 50043365: TBA

description: Small molecule binding data for protein Isocitrate lyase (ICL), Uniprot P9WKK7
DOI: 10.7270/q2930vpr
title: BindingDB Entry 50044008: Synthesis and antidopaminergic activity of some 3-(aminomethyl)tetralones as analogues of butyrophenone.

description: Small molecule binding data for protein DOPAMINE and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P18901 and P61169
DOI: 10.7270/q29w0h7q
title: BindingDB Entry 50046002: Identification of GDC-0810 (ARN-810), an Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) that Demonstrates Robust Activity in Tamoxifen-Resistant Breast Cancer Xenografts.

description: Small molecule binding data for protein Androgen Receptor, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Estradiol receptor alpha (ERα), Estradiol receptor beta (ERβ), Glucocorticoid receptor, Mineralocorticoid receptor (MR), Progesterone receptor, and Sodium-dependent dopamine transporter, Uniprot P03372, P04150, P05177, P06401, P08235, P08684, P10275, P10632, P10635, P11712, P33261, Q01959, and Q92731
DOI: 10.7270/q2fj2jh8
title: BindingDB Entry 50046001: Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2g44rzh
title: BindingDB Entry 50045490: Design, synthesis, and evaluation of phenylglycinols and phenyl amines as agonists of GPR88.

description: Small molecule binding data for protein Probable G-protein coupled receptor 88, Uniprot Q9GZN0
DOI: 10.7270/q2k075vt
title: BindingDB Entry 50044512: Guanidinium-based derivatives: searching for new kinase inhibitors.

description: Small molecule binding data for protein Casein kinase I isoform delta, Glycogen synthase kinase-3, and RAF serine/threonine protein kinase, Uniprot P15056, P48730, and P49841
DOI: 10.7270/q2pc33wn
title: BindingDB Entry 50044005: Quantitative evaluation of the beta 2-adrenoceptor intrinsic activity of N-tert-butylphenylethanolamines.

description: Small molecule binding data for protein ADRB2, Uniprot Q28044
DOI: 10.7270/q2pr7xjd
title: BindingDB Entry 50044511: Identification of 1-({[1-(4-fluorophenyl)-5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}amino)cyclohexane carboxylic acid as a selective nonpeptide neurotensin receptor type 2 compound.

description: Small molecule binding data for protein Neurotensin receptor 1 and Neurotensin receptor 2, Uniprot P20789 and Q63384
DOI: 10.7270/q2q241z9
title: BindingDB Entry 50045999: Allotides: Proline-Rich Cystine Knota-Amylase Inhibitors from Allamanda cathartica.

description: Small molecule binding data for protein Alpha-amylase, Uniprot P56634
DOI: 10.7270/q2qf8v91
title: BindingDB Entry 50043369: Synthesis and evaluation of novel radioligands for positron emission tomography imaging of the orexin-2 receptor.

description: Small molecule binding data for protein Orexin receptor 1 and Orexin receptor 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q2st7rkd
title: BindingDB Entry 50046006: C7ß-methyl analogues of the orvinols: the discovery of kappa opioid antagonists with nociceptin/orphanin FQ peptide (NOP) receptor partial agonism and low, or zero, efficacy at mu opioid receptors.

description: Small molecule binding data for protein Kappa-type opioid receptor, Nociceptin receptor, Nociceptin/mu opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, P41145, and P41146
DOI: 10.7270/q2td9zx9
title: BindingDB Entry 50044510: Synthesis and pharmacological evaluation of analogues of benzyl quinolone carboxylic acid (BQCA) designed to bind irreversibly to an allosteric site of the M1 muscarinic acetylcholine receptor.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P11229
DOI: 10.7270/q2tf0010
title: BindingDB Entry 50045495: Novel 4-substituted-N,N-dimethyltetrahydronaphthalen-2-amines: synthesis, affinity, and in silico docking studies at serotonin 5-HT2-type and histamine H1 G protein-coupled receptors.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Histamine receptor (H3), and Serotonin receptor (2b and 2c), Uniprot P28223, P28335, P41595, and Q9Y5N1
DOI: 10.7270/q2v69m09
title: BindingDB Entry 50043368: Contributions of academic laboratories to the discovery and development of chemical biology tools.

description: Small molecule binding data for protein G-protein coupled estrogen receptor 1, Uniprot Q99527
DOI: 10.7270/q2xk8h94
title: BindingDB Entry 50046005: Discovery of a Novel Series of N-Phenylindoline-5-sulfonamide Derivatives as Potent, Selective, and Orally Bioavailable Acyl CoA:Monoacylglycerol Acyltransferase-2 Inhibitors.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1), Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase, Diacylglycerol O-acyltransferase 1 (DGAT1), Diacylglycerol O-acyltransferase 2, and Monoacylglycerol acyltransferase type 2 (h-MGAT2), Uniprot O75907, P35610, Q09327, Q10469, and Q96PD7
DOI: 10.7270/q2xs5ww7
title: BindingDB Entry 50044003: Novel factor Xa inhibitors based on a benzoic acid scaffold and incorporating a neutral P1 ligand.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q2z60qm4
title: BindingDB Entry 50044509: Oxidation of cyanobenzocycloheptatrienes: Synthesis, photooxygenation reaction and carbonic anhydrase isoenzymes inhibition properties of some new benzotropone derivatives.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2z60qrx
title: BindingDB Entry 50045494: Cannabidiol (CBD) and its analogs: a review of their effects on inflammation.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1 (CB1R), and Cannabinoid receptor 2, Uniprot P20272, P34972, and P47746
DOI: 10.7270/q2zg6tw0
title: BindingDB Entry 50045043: Quinalozinones as Inhibitors of Class I PI3K Kinases.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit delta, and PI3-kinase subunit gamma, Uniprot O00329, P42336, and P48736
DOI: 10.7270/q21c1zmr
title: BindingDB Entry 50046012: Design and synthesis of close analogs of LCRF-0004, a potent and selective RON receptor tyrosine kinase inhibitor.

description: Small molecule binding data for protein Hepatocyte growth factor receptor and Macrophage-stimulating protein receptor, Uniprot P08581 and Q04912
DOI: 10.7270/q21j9c80
title: BindingDB Entry 50044010: The serotonin 5-HT4 receptor. 2. Structure-activity studies of the indole carbazimidamide class of agonists.

description: Small molecule binding data for protein Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor, Uniprot A5X5Y0, O95264, P46098, Q70Z44, and Q8WXA8
DOI: 10.7270/q21z45zq
title: BindingDB Entry 50044516: Synthesis and structure-activity relationship studies in serotonin 5-HT4 receptor ligands based on a benzo[de][2,6]naphthridine scaffold.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 4 (5-HT4) and HTR4, Uniprot O70528 and Q13639
DOI: 10.7270/q21z463x
title: BindingDB Entry 50045501: Effect of the tyrosinase inhibitor (S)-N-trans-feruloyloctopamine from garlic skin on tyrosinase gene expression and melanine accumulation in melanoma cells.

description: Small molecule binding data for protein Tyrosinase, Uniprot P11344 and P14679
DOI: 10.7270/q228097v
title: BindingDB Entry 50045050: Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors.

description: Small molecule binding data for protein DNA-dependent protein kinase, PI3-kinase subunit alpha, Serine-protein kinase ATM, Serine/threonine-protein kinase ATR, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase mTOR, and Voltage-gated potassium channel, Uniprot O14757, P42336, P42345, P78527, Q12809, Q13315, and Q13535
DOI: 10.7270/q22r3t2s
title: BindingDB Entry 50043374: Synthesis and structure-activity relationships of novel indazolyl glucocorticoid receptor partial agonists.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, P08235, and P10275
DOI: 10.7270/q25b0408
title: BindingDB Entry 50044009: Molecular similarity, quantitative chirality, and QSAR for chiral drugs.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and OPIATE Sigma, Uniprot P61169 and Q9R0C9
DOI: 10.7270/q25q4xnm
title: BindingDB Entry 50044515: 4-aminoquinolone piperidine amides: noncovalent inhibitors of DprE1 with long residence time and potent antimycobacterial activity.

description: Small molecule binding data for protein Adenosine receptor A1, Mu-type opioid receptor, and Voltage-gated potassium channel, Uniprot P30542, P35372, and Q12809
DOI: 10.7270/q26h4jtj
title: BindingDB Entry 50043373: Structure-activity relationships and pharmacophore model of a noncompetitive pyrazoline containing class of GluN2C/GluN2D selective antagonists.

description: Small molecule binding data for protein Glutamate [NMDA] receptor subunit epsilon 4, Histamine H2 Receptor, N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B), NMDA receptor subunit 2C (GluN2C), NMDA receptor subunit 2D (GluN2D), and NMDA receptor subunit N2A (GluN2A), Uniprot O15399, P25021, Q00959, Q00960, Q00961, and Q62645
DOI: 10.7270/q28w3g2w
title: BindingDB Entry 50046010: Top-down Targeted Metabolomics Reveals a Sulfur-Containing Metabolite with Inhibitory Activity against Angiotensin-Converting Enzyme in Asparagus officinalis.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12821