cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2x068k6
title: BindingDB Entry 50044368: Discovery of a potent, selective, and orally active phosphodiesterase 10A inhibitor for the potential treatment of schizophrenia.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Phosphodiesterase 1, Phosphodiesterase 3 (PDE3), Phosphodiesterase 6A, Phosphodiesterase Type 10 (PDE10A), Voltage-gated potassium channel, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074, P05177, P08684, P10635, P11712, P16499, Q01064, Q12809, Q14432, and Q9QYJ6
DOI: 10.7270/q2x34ztw
title: BindingDB Entry 50042787: Neoclerodanes as atypical opioid receptor ligands.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q2x92cxh
title: BindingDB Entry 50044904: Synthesis of novel pyrazole–thiadiazole hybrid as potential potent and selective cyclooxygenase-2 (COX-2) inhibitors.

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/q20c4x77
title: BindingDB Entry 50043870: Design, synthesis, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase inhibitors.

description: Small molecule binding data for protein Anandamide amidohydrolase and Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519 and P97612
DOI: 10.7270/q20r9qzv
title: BindingDB Entry 50044375: Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q20v8f4f
title: BindingDB Entry 50042794: Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase.

description: Small molecule binding data for protein Sarcoplasmic/endoplasmic reticulum calcium ATP-ase, Uniprot P04191
DOI: 10.7270/q2125v8f
title: BindingDB Entry 50044911: A reversed sulfonamide series of selective RORc inverse agonists.

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, P55055, Q13133, Q6I9R9, Q92753, and Q96RI1
DOI: 10.7270/q22b90fx
title: BindingDB Entry 50043258: Casuarinines A-J, lycodine-type alkaloids from Lycopodiastrum casuarinoides.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P21836
DOI: 10.7270/q23j3fn3
title: BindingDB Entry 50045369: Repurposing cryptosporidium inosine 5'-monophosphate dehydrogenase inhibitors as potential antibacterial agents.

description: Small molecule binding data for protein Inosine-5'-monophosphate dehydrogenase and Inosine-5'-monophosphate dehydrogenase, probable, Uniprot Q8T6T2
DOI: 10.7270/q2445nzj
title: BindingDB Entry 50043869: Discovery and optimization of 5-(2-((1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)oxy)pyridin-4-yl)-1,2,4-oxadiazoles as novel gpr119 agonists.

description: Small molecule binding data for protein G-protein coupled receptor 119 (GPR119), Uniprot Q8TDV5
DOI: 10.7270/q24j0gp4
title: BindingDB Entry 50044374: Design, synthesis and biological evaluation of novel tripeptidyl epoxyketone derivatives constructed fromß-amino acid as proteasome inhibitors.

description: Small molecule binding data for protein Proteasome subunit beta type-7, Uniprot Q99436
DOI: 10.7270/q24m95w6
title: BindingDB Entry 50042793: Screening and structural analysis of flavones inhibiting tankyrases.

description: Small molecule binding data for protein Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a), Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b), and poly-ADP-ribose polymerase 1 (PARP1), Uniprot O95271, P09874, and Q9H2K2
DOI: 10.7270/q24q7wmk
title: BindingDB Entry 50044910: Monocyclic 4-amino-6-(phenylamino)-1,3,5-triazines as inhibitors of human DNA topoisomerase IIa.

description: Small molecule binding data for protein Topoisomerase II alpha (HuTopoIIα), Uniprot P11388
DOI: 10.7270/q27946bc
title: BindingDB Entry 50045368: ROR¿t Modulators Are Potentially Useful for the Treatment of the Immune-Mediated Inflammatory Diseases.

description: Small molecule binding data for protein Nuclear receptor ROR-gamma, Uniprot P51449 and Q6I9R9
DOI: 10.7270/q27w6dpz
title: BindingDB Entry 50043868: Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Dipeptidyl peptidase IX, and Dipeptidyl peptidase VIII, Uniprot P10635, Q6V1X1, and Q86TI2
DOI: 10.7270/q28917f9
title: BindingDB Entry 50044373: Azaindolylsulfonamides, with a more selective inhibitory effect on histone deacetylase 6 activity, exhibit antitumor activity in colorectal cancer HCT116 cells.

description: Small molecule binding data for protein Histone Deacetylase 10 (HDAC10), Histone deacetylase, Histone deacetylase 1, Histone deacetylase 1/3/5/8, Histone deacetylase 7 (HDAC7), and Histone deacetylase 8, Uniprot A0A024QZ26, Q13547, Q8WUI4, Q92769, Q969S8, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q28g8n9v
title: BindingDB Entry 50044909: New efficient imidazolium aldoxime reactivators for nerve agent-inhibited acetylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2bv7hx9
title: BindingDB Entry 50042262: Structure-activity relationships of methoctramine-related polyamines as muscarinic antagonist: effect of replacing the inner polymethylene chain with cyclic moieties.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2bz67qz
title: BindingDB Entry 50045367: MoGAT-2 Inhibitors May Provide Effective Treatment for Hypertriglyceridemia.

description: Small molecule binding data for protein Acyl-CoA:monoacylglycerol acyltransferase 2 (MOGAT2), Uniprot Q3SYC2
DOI: 10.7270/q2cn75dp
title: BindingDB Entry 50043867: Heteroarylureas with spirocyclic diamine cores as inhibitors of fatty acid amide hydrolase.

description: Small molecule binding data for protein Anandamide amidohydrolase and Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519 and P97612
DOI: 10.7270/q2d22051
title: BindingDB Entry 50044372: Synthesis, biological evaluation, molecular docking and theoretical evaluation of ADMET properties of nepodin and chrysophanol derivatives as potential cyclooxygenase (COX-1, COX-2) inhibitors.

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/q2d50p9c
title: BindingDB Entry 50042791: Discovery of thieno[3,2-d]pyrimidine-6-carboxamides as potent inhibitors of SIRT1, SIRT2, and SIRT3.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, NAD-Dependent Deacetylase Sirtuin-1, NAD-dependent deacetylase sirtuin 2, NAD-dependent protein deacetylase sirtuin-3 (SIRT3), and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, Q12809, Q8IXJ6, Q96EB6, and Q9NTG7
DOI: 10.7270/q2d79d1k
title: BindingDB Entry 50044908: Discovery of pyrrolo[1,2-b]pyridazine-3-carboxamides as Janus kinase (JAK) inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, JAK2/TYK2, JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P05177, P08684, P10632, P10635, P11712, P23458, P29597, and P52333
DOI: 10.7270/q2dn46fq
title: BindingDB Entry 50043263: Synthesis and evaluation of N8-acetylspermidine analogues as inhibitors of bacterial acetylpolyamine amidohydrolase.

description: Small molecule binding data for protein Acetylpolyamine amidohydrolase (APAH), Uniprot Q48935
DOI: 10.7270/q2fn17mj
title: BindingDB Entry 50043255: Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: optimization of kinase selectivity and pharmacokinetics.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Mitogen-activated protein kinase kinase kinase 7 interacting protein 1, and TAK1/TAB1, Uniprot O43318, Q15750, and Q96GD4
DOI: 10.7270/q2gm88mk
title: BindingDB Entry 50042261: 13C bis-labeled pyrroles: a tool for the identification of the rat metabolism of 3-methyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-trimethyl-propyl) ester.

description: Small molecule binding data for protein Metabotropic glutamate receptor 1, Uniprot Q13255
DOI: 10.7270/q2gq70d7
title: BindingDB Entry 50045366: Design, synthesis and molecular docking study of novel quinoxalin-2(1H)-ones as anti-tumor active agents with inhibition of tyrosine kinase receptor and studying their cyclooxygenase-2 activity.

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/q2ht2qpz
title: BindingDB Entry 50042790: 4-Hydroxypyridazin-3(2H)-one derivatives as novel D-amino acid oxidase inhibitors.

description: Small molecule binding data for protein D-Amino Acid Oxidase (DAAO) and D-amino-acid oxidase, Uniprot O35078, P14920, and P18894
DOI: 10.7270/q2j104sw
title: BindingDB Entry 50044907: A simple, general approach of allosteric coagulation enzyme inhibition through monosulfated hydrophobic scaffolds.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Coagulation factor XI, and Prothrombin, Uniprot P00734, P00742, and P03951
DOI: 10.7270/q2jd4z6h
title: BindingDB Entry 50043262: Indole derivatives as dual-effective agents for the treatment of neurodegenerative diseases: synthesis, biological evaluation, and molecular modeling studies.

description: Small molecule binding data for protein N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B), Uniprot Q00960
DOI: 10.7270/q2mc91b9
title: BindingDB Entry 50042260: 1,5-Biaryl pyrrole derivatives as EP1 receptor antagonists: Structure-activity relationships of 4- and 5-substituted benzoic acid derivatives.

description: Small molecule binding data for protein Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP4 subtype (EP4), and Prostanoid TP receptor, Uniprot P21731, P34995, and P35408
DOI: 10.7270/q2mg7r51
title: BindingDB Entry 50045365: Kaempferol, a potential cytostatic and cure for inflammatory disorders.

description: Small molecule binding data for protein Ribosomal protein S6 kinase alpha 3, Uniprot P51812
DOI: 10.7270/q2ng4s62
title: BindingDB Entry 50044370: Selectively promiscuous opioid ligands: discovery of high affinity/low efficacy opioid ligands with substantial nociceptin opioid peptide receptor affinity.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Nociceptin receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, P35372, P41143, P41144, P41145, P41146, and P97266
DOI: 10.7270/q2nk3gc7
title: BindingDB Entry 50042789: Synthesis and biological evaluation of a new series of hexahydro-2H-pyrano[3,2-c]quinolines as novel selectives1 receptor ligands.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Serotonin receptor (2b and 2c), Sigma, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, P41595, Q12809, and Q99720
DOI: 10.7270/q2qv3p05
title: BindingDB Entry 50043872: Insights into the mechanism of streptonigrin-induced protein arginine deiminase inactivation.

description: Small molecule binding data for protein Protein-arginine deiminase type-1, Protein-arginine deiminase type-2, Protein-arginine deiminase type-3, and protein-arginine deiminase type-4, Uniprot Q9ULC6, Q9ULW8, Q9UM07, and Q9Y2J8
DOI: 10.7270/q2r49s33
title: BindingDB Entry 50042259: Co-crystal structure guided array synthesis of PPARgamma inverse agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q2rv0q50
title: BindingDB Entry 50043864: Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).

description: Small molecule binding data for protein Nicotinamide phosphoribosyltransferase, Uniprot P43490
DOI: 10.7270/q2sx6fms
title: BindingDB Entry 50043260: Human acidic mammalian chitinase as a novel target for anti-asthma drug design using in silico screening.

description: Small molecule binding data for protein Acidic mammalian chitinase (AMCase), Uniprot Q9BZP6
DOI: 10.7270/q2vm4dqg
title: BindingDB Entry 50043871: Discovery of N-(3-((7H-purin-6-yl)thio)-4-hydroxynaphthalen-1-yl)-sulfonamide derivatives as novel protein kinase and angiogenesis inhibitors for the treatment of cancer: Synthesis and biological evaluation. Part III.

description: Small molecule binding data for protein AKT/p21CIP1 and Tyrosine-protein kinase ABL1, Uniprot P00519 and P31749
DOI: 10.7270/q2vx0hv3
title: BindingDB Entry 50042258: 1,5-Biaryl pyrrole derivatives as EP1 receptor antagonists. Structure-activity relationships of 6-substituted and 5,6-disubstituted benzoic acid derivatives.

description: Small molecule binding data for protein Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP4 subtype (EP4), and Prostanoid TP receptor, Uniprot P21731, P34995, and P35408
DOI: 10.7270/q2w95btk
title: BindingDB Entry 50044912: Novel indolizine derivatives with unprecedented inhibitory activity on human farnesyltransferase.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT), Uniprot P49354 and P49356
DOI: 10.7270/q2xk8h03
title: BindingDB Entry 50043259: Fluorescent ligands for adenosine receptors.

description: Small molecule binding data for protein Adenosine A1 receptor and Uncharacterized protein, Uniprot P28190
DOI: 10.7270/q21c1z9q
title: BindingDB Entry 50043266: Nonclassical antifolates, part 4. 5-(2-aminothiazol-4-yl)-4-phenyl-4H-1,2,4-triazole-3-thiols as a new class of DHFR inhibitors: synthesis, biological evaluation and molecular modeling study.

description: Small molecule binding data for protein Dihydrofolate reductase (DHFR), Uniprot P00376
DOI: 10.7270/q2348mvm
title: BindingDB Entry 50043877: Novel lung adenocarcinoma and nuclear factor-kappa B (NF-¿B) inhibitors: synthesis and evaluation of lantadene congeners.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920
DOI: 10.7270/q23f4qzs
title: BindingDB Entry 50042264: Conformation-activity relationship of neuropeptide S and some structural mutants: helicity affects their interaction with the receptor.

description: Small molecule binding data for protein Neuropeptide S receptor, Uniprot Q8BZP8
DOI: 10.7270/q2542q00
title: BindingDB Entry 50043265: Control of the intracellular levels of prostaglandin E2 through inhibition of the 15-hydroxyprostaglandin dehydrogenase for wound healing.

description: Small molecule binding data for protein 15-hydroxyprostaglandin dehydrogenase [NAD+], Uniprot P15428
DOI: 10.7270/q26w9ck1
title: BindingDB Entry 50043876: Inhibition of I¿B kinase-ß and I¿B kinase-a by heterocyclic adamantyl arotinoids.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK) and Retinoid X receptor gamma/retinoic acid receptor alpha, Uniprot O14920 and P10276
DOI: 10.7270/q2736s7r
title: BindingDB Entry 50042263: Discovery of new C3aR ligands. Part 2: amino-piperidine derivatives.

description: Small molecule binding data for protein C3a anaphylatoxin chemotactic receptor, Uniprot Q16581
DOI: 10.7270/q27h1m6g
title: BindingDB Entry 50044917: ¿F508-CFTR correctors: synthesis and evaluation of thiazole-tethered imidazolones, oxazoles, oxadiazoles, and thiadiazoles.

description: Small molecule binding data for protein CFTR, Uniprot P13569
DOI: 10.7270/q28c9xmj
title: BindingDB Entry 50042792: Synthesis and biological evaluation of urea derivatives as highly potent and selective rho kinase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Mitogen-activated protein kinase 10, Rho-associated protein kinase, and Serine/threonine-protein kinase MRCK alpha, Uniprot O75116, P05177, P08684, P10635, P11712, P53779, Q13464, and Q5VT25
DOI: 10.7270/q28w3fpj
title: BindingDB Entry 50043264: Anticancer activity and SAR studies of substituted 1,4-naphthoquinones.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2bp0499
title: BindingDB Entry 50043875: Degrasyn-like symmetrical compounds: possible therapeutic agents for multiple myeloma (MM-I).

description: Small molecule binding data for protein Probable ubiquitin carboxyl-terminal hydrolase FAF-X, Uniprot Q93008
DOI: 10.7270/q2c24z0t
title: BindingDB Entry 50044380: Bis-aryloxadiazoles as effective activators of the aryl hydrocarbon receptor.

description: Small molecule binding data for protein Ah Receptor, Uniprot P30561
DOI: 10.7270/q2c82bwb
title: BindingDB Entry 50044916: A simple and widely applicable hit validation strategy for protein-protein interaction inhibitors based on a quantitative ligand displacement assay.

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/q2gf0w1n
title: BindingDB Entry 50043874: Synthesis and biological evaluation of novel pazopanib derivatives as antitumor agents.

description: Small molecule binding data for protein Platelet-derived growth factor receptor, Uniprot P16234
DOI: 10.7270/q2h133m2
title: BindingDB Entry 50044915: Synthesis and SAR of thieno[3,2-b]pyridinyl urea derivatives as urotensin-II receptor antagonists.

description: Small molecule binding data for protein Urotensin II receptor and Voltage-gated potassium channel, Uniprot Q12809 and Q9UKP6
DOI: 10.7270/q2kh0pzw
title: BindingDB Entry 50045373: Small molecule adenosine 5'-monophosphate activated protein kinase (AMPK) modulators and human diseases.

description: Small molecule binding data for protein 5'-AMP-activated protein kinase catalytic subunit alpha-1, Adiponectin receptor protein 1, and Adiponectin receptor protein 2, Uniprot Q13131, Q86V24, and Q96A54
DOI: 10.7270/q2m61mrz
title: BindingDB Entry 50043873: Discovery of substituted lactams as novel dual orexin receptor antagonists. Synthesis, preliminary structure-activity relationship studies and efforts towards improved metabolic stability and pharmacokinetic properties. Part 1.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Orexin receptor 1, and Orexin receptor 2, Uniprot O43613, O43614, P10635, P11712, and S4X0W3
DOI: 10.7270/q2mk6f7v
title: BindingDB Entry 50042797: Thiophene-core estrogen receptor ligands having superagonist activity.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2mk6fd3
title: BindingDB Entry 50044378: Discovery of the first potent and selective Mycobacterium tuberculosis Zmp1 inhibitor.

description: Small molecule binding data for protein Neprilysin, Uniprot P08473
DOI: 10.7270/q2ms3vcj
title: BindingDB Entry 50044914: Amine-linked diquercitols as newa-glucosidase inhibitors.

description: Small molecule binding data for protein alpha-Glucosidase (α-Glucosidase), Uniprot P23739
DOI: 10.7270/q2p55pxt
title: BindingDB Entry 50043261: Design, synthesis and evaluation of novel 2-hydroxypyrrolobenzodiazepine-5,11-dione analogues as potent angiotensin converting enzyme (ACE) inhibitors.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12822
DOI: 10.7270/q2q81fq2
title: BindingDB Entry 50045372: Ligand-induced conformational change of Plasmodium falciparum AMA1 detected using 19F NMR.

description: Small molecule binding data for protein Apical membrane antigen 1
DOI: 10.7270/q2r78gs0
title: BindingDB Entry 50044377: 2-Amino-1,3,4-thiadiazoles in the 7-hydroxy-N-neopentyl spiropiperidine indolinyl series as potent P2Y1 receptor antagonists.

description: Small molecule binding data for protein Purinergic receptor P2Y1, Uniprot P47900
DOI: 10.7270/q2rb75xq
title: BindingDB Entry 50042796: 5-Oxo-ETE receptor antagonists.

description: Small molecule binding data for protein TG 1019, Uniprot Q8TDS5
DOI: 10.7270/q2rj4m38
title: BindingDB Entry 50044913: Discovery of potent iminoheterocycle BACE1 inhibitors.

description: Small molecule binding data for protein Beta-secretase 1 and Cathepsin D, Uniprot P07339 and P56817
DOI: 10.7270/q2tx3gp8
title: BindingDB Entry 50042266: Discovery of novel, non-acidic 1,5-biaryl pyrrole EP1 receptor antagonists.

description: Small molecule binding data for protein Prostaglandin E2 receptor EP1 subtype (EP1), Uniprot P34995
DOI: 10.7270/q2v126g7
title: BindingDB Entry 50045371: An allosteric modulator of HIV-1 protease shows equipotent inhibition of wild-type and drug-resistant proteases.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2w097g8
title: BindingDB Entry 50044376: Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase ITK/TSK, Uniprot Q08881
DOI: 10.7270/q2w37xn2
title: BindingDB Entry 50042795: New multifunctional Di-tert-butylphenoloctahydro(pyrido/benz)oxazine derivatives with antioxidant, antihyperlipidemic, and antidiabetic action.

description: Small molecule binding data for protein Squalene synthetase, Uniprot Q02769
DOI: 10.7270/q2zp47ff
title: BindingDB Entry 50042265: Influence of conformation on GRIND-based three-dimensional quantitative structure-activity relationship (3D-QSAR).

description: Small molecule binding data for protein Lanosterol synthase, Uniprot P48449
DOI: 10.7270/q2zs2z68
title: BindingDB Entry 50045370: Carbonic Anhydrase Inhibition with Benzenesulfonamides and Tetrafluorobenzenesulfonamides Obtained via Click Chemistry.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2028t5h
title: BindingDB Entry 50044919: Protective effects of aloe-emodin on scopolamine-induced memory impairment in mice and H2O2-induced cytotoxicity in PC12 cells.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q22j6dj5
title: BindingDB Entry 50045377: Discovery of dual leucine zipper kinase (DLK, MAP3K12) inhibitors with activity in neurodegeneration models.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 4, Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7), Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 9, Mitogen-activated protein kinase kinase kinase 10, Mitogen-activated protein kinase kinase kinase 11, Mitogen-activated protein kinase kinase kinase 12, Mitogen-activated protein kinase kinase kinase 9 (MLK1), and c-Jun N-terminal kinase, JNK, Uniprot O14733, P45983, P45984, P45985, P53779, P80192, Q02779, Q12852, and Q16584