cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q24m98cq
title: BindingDB Entry 50014717: A Novel, Selective c-Abl Inhibitor, Compound 5, Prevents Neurodegeneration in Parkinson's Disease.

description: Small molecule binding data for protein Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor alpha, and Tyrosine-protein kinase ABL1, Uniprot P00519, P10721, and P16234
DOI: 10.7270/q24q7z1s
title: BindingDB Entry 9099: Therapeutically active compositions and their methods of use

description: Small molecule binding data for protein Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] and Isocitrate dehydrogenase [NADP] cytoplasmic [R132H], Uniprot O75874
DOI: 10.7270/q24q7z27
title: BindingDB Entry 9308: Tertiary alcohols as PI3K-γ inhibitors

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329 and P48736
DOI: 10.7270/q24q7z3p
title: BindingDB Entry 9695: N-(substituted-phenyl)-sulfonamide derivatives as kinase inhibitors

description: Small molecule binding data for protein Eukaryotic translation initiation factor 2-alpha kinase 3, Uniprot Q9NZJ5
DOI: 10.7270/q24q7z44
title: BindingDB Entry 10082: Compounds, process for obtaining the compounds, pharmaceutical composition, use of the compounds and method for treating psychiatric disorders and/or sleep disorders

description: Small molecule binding data for protein Melatonin receptor type 1A and Melatonin receptor type 1B, Uniprot P48039 and P49286
DOI: 10.7270/q24q7z5k
title: BindingDB Entry 10469: Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof

description: Small molecule binding data for protein Wee1-like protein kinase, Uniprot P30291
DOI: 10.7270/q24q7z61
title: BindingDB Entry 10856: Crystalline forms of a lysyl oxidase-like 2 inhibitor and methods of making

description: Small molecule binding data for protein Lysyl oxidase homolog 2, Uniprot Q9Y4K0
DOI: 10.7270/q24q7z7g
title: BindingDB Entry 50006851: Design and Evaluation of Heterobivalent PAR1-PAR2 Ligands as Antagonists of Calcium Mobilization.

description: Small molecule binding data for protein Proteinase-activated receptor 1 and Proteinase-activated receptor 2, Uniprot P25116 and P55085
DOI: 10.7270/q24q7z8x
title: BindingDB Entry 50007120: Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.

description: Small molecule binding data for protein Cathepsin D, Uniprot P07339
DOI: 10.7270/q24q7z9c
title: BindingDB Entry 50007453: Discovery of

description: Small molecule binding data for protein Cytochrome P450 3A4, Nuclear receptor ROR-gamma, and Peroxisome proliferator-activated receptor gamma, Uniprot P08684, P37231, and P51449
DOI: 10.7270/q24q7zbt
title: BindingDB Entry 50008059: Novel N-aryl nicotinamide derivatives: Taking stock on 3,6-diazabicyclo[3.1.1]heptanes as ligands for neuronal acetylcholine receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor subunit alpha-3/beta-4, Neuronal acetylcholine receptor subunit alpha-4/beta-2, and Neuronal acetylcholine receptor subunit alpha-7, Uniprot P09483, P12390, P17787, P30926, P32297, P43681, and Q05941
DOI: 10.7270/q24q7zc8
title: BindingDB Entry 50008692: Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.

description: Small molecule binding data for protein Stimulator of interferon genes protein, Uniprot Q86WV6
DOI: 10.7270/q24q7zdq
title: BindingDB Entry 50009326: Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.

description: Small molecule binding data for protein Glutathione S-transferase omega-1, Uniprot P78417
DOI: 10.7270/q24q7zf5
title: BindingDB Entry 50009657: Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1/JAK3, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q24q7zgm
title: BindingDB Entry 50009939: Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177).

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, BDNF/NT-3 growth factors receptor, Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Cytoplasmic tyrosine-protein kinase BMX, High affinity nerve growth factor receptor, Proto-oncogene tyrosine-protein kinase Src, Proto-oncogene tyrosine-protein kinase receptor Ret, Receptor tyrosine-protein kinase erbB-4, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase Lck, Tyrosine-protein kinase Lyn, Tyrosine-protein kinase TXK, and Tyrosine-protein kinase Tec, Uniprot O60674, P04629, P05177, P06239, P07948, P07949, P08684, P10632, P10635, P11712, P12931, P20813, P35991, P40989, P42680, P42681, P51451, P51813, Q06187, Q08881, Q15303, and Q16620
DOI: 10.7270/q24q7zh2
title: BindingDB Entry 50010241: Discovery and structure-activity relationships of a novel isothiazolone class of bacterial type II topoisomerase inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q24q7zjh
title: BindingDB Entry 50010501: Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.

description: Small molecule binding data for protein Coagulation factor XI, Uniprot P03951
DOI: 10.7270/q24q7zkz
title: BindingDB Entry 50010845: Evaluation of nitrocatechol chalcone and pyrazoline derivatives as inhibitors of catechol-O-methyltransferase and monoamine oxidase.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Catechol O-methyltransferase, and Lanosterol synthase, Uniprot P21397, P22734, P27338, and P48450
DOI: 10.7270/q24q7zmd
title: BindingDB Entry 50011475: Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1α Inhibitory Activity.

description: Small molecule binding data for protein Serine/threonine-protein kinase B-raf and Serine/threonine-protein kinase/endoribonuclease IRE1, Uniprot O75460 and P15056
DOI: 10.7270/q24q7znv
title: BindingDB Entry 50012102: Development of a Potent and Specific FGFR4 Inhibitor for the Treatment of Hepatocellular Carcinoma.

description: Small molecule binding data for protein Fibroblast growth factor receptor 4, Uniprot P22455
DOI: 10.7270/q24q7zp9
title: BindingDB Entry 50012717: Discovery of Imidazopyridines as Potent Inhibitors of Indoleamine 2,3-Dioxygenase 1 for Cancer Immunotherapy.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Indoleamine 2,3-dioxygenase 1, and Nuclear receptor subfamily 1 group I member 2, Uniprot O75469, P05177, P08684, P10632, P10635, P11712, P14902, P28776, and P33261
DOI: 10.7270/q24q7zqr
title: BindingDB Entry 50013059: First orally bioavailable prodrug of proteolysis targeting chimera (PROTAC) degrades cyclin-dependent kinases 2/4/6 in vivo.

description: Small molecule binding data for protein Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Cyclin-dependent kinase 4/G1/S-specific cyclin-D1, and Cyclin-dependent kinase 6/G1/S-specific cyclin-D3, Uniprot P11802, P24385, P24864, P24941, P30281, and Q00534
DOI: 10.7270/q24q7zr6
title: BindingDB Entry 50013377: Fluoropyrimidin-2,4-dihydroxy-5-isopropylbenzamides as antitumor agents against CRC and NSCLC cancer cells.

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha, Uniprot P07900
DOI: 10.7270/q24q7zsn
title: BindingDB Entry 50013726: Development of novel benzofuran-based SLC-0111 analogs as selective cancer-associated carbonic anhydrase isoform IX inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q24q7zt3
title: BindingDB Entry 50014361: DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A4, Uniprot P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q24t6ndn
title: BindingDB Entry 9277: Indole derivatives and use thereof

description: Small molecule binding data for protein Sodium channel protein type 9 subunit alpha, Uniprot Q15858
DOI: 10.7270/q24t6nf3
title: BindingDB Entry 9486: RIP1 inhibitory compounds and methods for making and using the same

description: Small molecule binding data for protein Receptor-interacting serine/threonine-protein kinase 1, Uniprot Q13546
DOI: 10.7270/q24t6ngj
title: BindingDB Entry 9664: 3,4-bipyridyl pyrazole derivative, and preparation method therefor and medical application thereof

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Receptor-interacting serine/threonine-protein kinase 2, TGF-beta receptor type-1, and Vascular endothelial growth factor receptor 2, Uniprot O43353, P35968, P36897, and Q16539
DOI: 10.7270/q24t6nh0
title: BindingDB Entry 9873: Pyrrolidine derivative

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor, Uniprot Q16602
DOI: 10.7270/q24t6njf
title: BindingDB Entry 10260: Fused ring derivative used as FGFR4 inhibitor

description: Small molecule binding data for protein Fibroblast growth factor receptor 4, Uniprot P22455
DOI: 10.7270/q24t6nkw
title: BindingDB Entry 10647: Pyridine and pyridimine compounds as PI3K-gamma inhibitors

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329 and P48736
DOI: 10.7270/q24t6nmb
title: BindingDB Entry 50006804: Synthesis and biological evaluation of novel Ani9 derivatives as potent and selective ANO1 inhibitors.

description: Small molecule binding data for protein Anoctamin-1 and Anoctamin-2, Uniprot Q5XXA6 and Q9NQ90
DOI: 10.7270/q24t6nns
title: BindingDB Entry 50007399: Natural products as important tyrosine kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q24t6np7
title: BindingDB Entry 50007731: Novel benzenesulfonamide and 1,2-benzisothiazol-3(2H)-one-1,1-dioxide derivatives as potential selective COX-2 inhibitors.

description: Small molecule binding data for protein Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2, Uniprot P05979 and P79208
DOI: 10.7270/q24t6nqp
title: BindingDB Entry 50008010: Structure-Based Bioisosterism Yields HIV-1 NNRTIs with Improved Drug-Resistance Profiles and Favorable Pharmacokinetic Properties.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Reverse transcriptase, Uniprot P05177, P08684, P10635, P11712, P33261, P40989, and Q9WKE8
DOI: 10.7270/q24t6nr4
title: BindingDB Entry 50008332: Generation and screening of pseudostatic hydrazone libraries derived from 5-substituted nipecotic acid derivatives at the GABA transporter mGAT4.

description: Small molecule binding data for protein Sodium- and chloride-dependent GABA transporter 1, Sodium- and chloride-dependent GABA transporter 2, and Sodium- and chloride-dependent GABA transporter 3, Uniprot P23978, P31649, P31650, and P48066
DOI: 10.7270/q24t6nsk
title: BindingDB Entry 50008986: Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable RORγ Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.

description: Small molecule binding data for protein Bile acid receptor, Nuclear receptor ROR-alpha, Nuclear receptor ROR-gamma, and Oxysterols receptor LXR-alpha, Uniprot P35398, P51449, Q13133, and Q96RI1
DOI: 10.7270/q24t6nt1
title: BindingDB Entry 50009600: Synthesis and biological evaluation of new long-chain squaramides as anti-chagasic agents in the BALB/c mouse model.

description: Small molecule binding data for protein Superoxide dismutase [Cu-Zn], Uniprot P00441
DOI: 10.7270/q24t6nvg
title: BindingDB Entry 50010203: 3-Hydroxypyrimidine-2,4-dione-5-N-benzylcarboxamides Potently Inhibit HIV-1 Integrase and RNase H.

description: Small molecule binding data for protein Integrase and Reverse transcriptase/RNaseH, Uniprot Q72547 and Q76353
DOI: 10.7270/q24t6nwx
title: BindingDB Entry 50010792: Discovery of 4,6- and 5,7-Disubstituted Isoquinoline Derivatives as a Novel Class of Protein Kinase C ζ Inhibitors with Fragment-Merging Strategy.

description: Small molecule binding data for protein Protein kinase C zeta type and Serine/threonine-protein kinase D2, Uniprot Q05513 and Q9BZL6
DOI: 10.7270/q24t6nxc
title: BindingDB Entry 50011128: Design, synthesis and evaluation of flurbiprofen-clioquinol hybrids as multitarget-directed ligands against Alzheimer's disease.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q24t6nzt
title: BindingDB Entry 50011421: TBA

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor, and D(2) dopamine receptor, Uniprot P08908, P14416, P15823, P23944, and P43140
DOI: 10.7270/q24t6p0p
title: BindingDB Entry 50011758: Substituted 4-phenylthiazoles: Development of potent and selective A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P28647, P29274, P29275, P29276, P30542, and P30543
DOI: 10.7270/q24t6p14
title: BindingDB Entry 50012376: Ifenprodil Stereoisomers: Synthesis, Absolute Configuration, and Correlation with Biological Activity.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, 5-hydroxytryptamine receptor 2C, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Glutamate receptor ionotropic, NMDA 2B, Sigma intracellular receptor 2, and Sigma non-opioid intracellular receptor 1, Uniprot P08908, P08913, P28223, P28335, P34969, P35348, P41595, P50406, Q13224, Q5U3Y7, and Q60492
DOI: 10.7270/q24t6p2k
title: BindingDB Entry 50013007: Irreversible inhibition of BoNT/A protease: proximity-driven reactivity contingent upon a bifunctional approach.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot P0DPI0
DOI: 10.7270/q24t6p31
title: BindingDB Entry 50013678: Progress in the Development of Small Molecular Inhibitors of Focal Adhesion Kinase (FAK).

description: Small molecule binding data for protein Focal adhesion kinase 1, Insulin receptor, Insulin-like growth factor 1 receptor, and Protein-tyrosine kinase 2-beta, Uniprot P06213, P08069, Q05397, and Q14289
DOI: 10.7270/q24t6p4g
title: BindingDB Entry 50014002: Efficient Dimerization Disruption of

description: Small molecule binding data for protein Trypanothione reductase, Uniprot A4HSF7 and P39051
DOI: 10.7270/q24t6p5x
title: BindingDB Entry 50014303: Discovery of a potent and selective inhibitor of histone lysine demethylase KDM4D.

description: Small molecule binding data for protein Lysine-specific demethylase 3B, Lysine-specific demethylase 4A, Lysine-specific demethylase 4D, Lysine-specific demethylase 5A, and Lysine-specific demethylase 6A, Uniprot O15550, O75164, P29375, Q6B0I6, and Q7LBC6
DOI: 10.7270/q24t6p6c
title: BindingDB Entry 50014665: Tuning the activity of known drugs via the introduction of halogen atoms, a case study of SERT ligands - Fluoxetine and fluvoxamine.

description: Small molecule binding data for protein Sodium-dependent serotonin transporter, Uniprot P31645
DOI: 10.7270/q24x5btz
title: BindingDB Entry 9068: 2-amino-6-(difluoromethyl)-5,5-difluoro-6-phenyl-3,4,5,6-tetrahydropyridines as BACE1 inhibitors

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q24x5bvd
title: BindingDB Entry 9455: CDK2/4/6 inhibitors

description: Small molecule binding data for protein Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Cyclin-dependent kinase 4/G1/S-specific cyclin-D3, and Cyclin-dependent kinase 6/G1/S-specific cyclin-D1, Uniprot P11802, P24864, P24941, P25322, P30281, and Q00534
DOI: 10.7270/q24x5bwv
title: BindingDB Entry 9842: Indolinone derivatives as inhibitors of maternal embryonic leucine zipper kinase

description: Small molecule binding data for protein 5'-AMP-activated protein kinase catalytic subunit alpha-2, Calcium/calmodulin-dependent protein kinase kinase 2, Maternal embryonic leucine zipper kinase, Mitogen-activated protein kinase 1, NUAK family SNF1-like kinase 1, and Serine/threonine-protein kinase Chk1, Uniprot O14757, O60285, P28482, P54646, Q14680, and Q96RR4
DOI: 10.7270/q24x5bx9
title: BindingDB Entry 10051: Heterocyclic derivatives as PI3K inhibitors

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329 and P48736
DOI: 10.7270/q24x5bzr
title: BindingDB Entry 10229: Oxysterols and methods of use thereof

description: Small molecule binding data for protein Glutamate receptor ionotropic, NMDA 2A and Glutamate receptor ionotropic, NMDA 2B, Uniprot Q12879 and Q13224
DOI: 10.7270/q24x5c0m
title: BindingDB Entry 10438: Protein kinase B inhibitors

description: Small molecule binding data for protein RAC-alpha serine/threonine-protein kinase, Uniprot P31749
DOI: 10.7270/q24x5c12
title: BindingDB Entry 10616: Compounds and methods for kinase modulation, and indications therefor

description: Small molecule binding data for protein Serine/threonine-protein kinase B-raf [V600E], Uniprot P15056
DOI: 10.7270/q24x5c2h
title: BindingDB Entry 10825: Hetero ring-fused phenyl compounds for inhibiting TNIK and medical uses thereof

description: Small molecule binding data for protein TRAF2 and NCK-interacting protein kinase, Uniprot Q9UKE5
DOI: 10.7270/q24x5c3z
title: BindingDB Entry 50007069: Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC).

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Cyclin-dependent kinase 5 activator 1, Mitogen-activated protein kinase 1/3, and NUAK family SNF1-like kinase 1, Uniprot O60285, P24864, P24941, P27361, P28482, P40989, Q00535, and Q15078
DOI: 10.7270/q24x5c4d
title: BindingDB Entry 50007684: Discovery and Pharmacokinetics of Sulfamides and Guanidines as Potent Human Arginase 1 Inhibitors.

description: Small molecule binding data for protein Arginase-1, Uniprot P05089
DOI: 10.7270/q24x5c5v
title: BindingDB Entry 50008294: Identification of the Metabolic Profile of the α-Tubulin-Binding Natural Product (-)-Pironetin.

description: Small molecule binding data for protein Tubulin alpha chain-like 3/1A chain/1B chain/1C chain/3C chain/3E chain/4A chain/8 chain and Tubulin alpha-8 chain, Uniprot A6NHL2, P0DPH7, P68363, P68366, Q6PEY2, Q71U36, Q9BQE3, and Q9NY65
DOI: 10.7270/q24x5c69
title: BindingDB Entry 50008630: Synthesis and biological evaluation of thielocin B1 analogues as protein-protein interaction inhibitors of PAC3 homodimer.

description: Small molecule binding data for protein Proteasome assembly chaperone 1/2 and Proteasome assembly chaperone 3, Uniprot O95456, Q969U7, and Q9BT73
DOI: 10.7270/q24x5c7r
title: BindingDB Entry 50008945: Synthesis and biological evaluation of 3-substituted 2-oxindole derivatives as new glycogen synthase kinase 3β inhibitors.

description: Small molecule binding data for protein Glycogen synthase kinase-3 beta, Uniprot P49841
DOI: 10.7270/q24x5c86
title: BindingDB Entry 50009280: Recent advances in the development of cyclin-dependent kinase 7 inhibitors.

description: Small molecule binding data for protein CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Cyclin-dependent kinase 4, Cyclin-dependent kinase 5, Cyclin-dependent kinase 6, Cyclin-dependent kinase 7, and Cyclin-dependent kinase 9, Uniprot P06493, P11802, P24864, P24941, P50613, P50750, P51946, P51948, Q00534, and Q00535
DOI: 10.7270/q24x5c9n
title: BindingDB Entry 50009883: Trypsin inhibitors for the treatment of pancreatitis.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Chymotrypsinogen B2, Coagulation factor X, Neutrophil elastase, Prothrombin, and Serine protease 1, Uniprot P00734, P00742, P07477, P08246, P40989, and Q6GPI1
DOI: 10.7270/q24x5cb3
title: BindingDB Entry 50010459: Variations in the C-unit of bedaquiline provides analogues with improved biology and pharmacology.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q24x5ccj
title: BindingDB Entry 50011083: Efficient synthesis of tert-butyl 3-cyano-3-cyclopropyl-2-oxopyrrolidine-4-carboxylates: Highly functionalized 2-pyrrolidinone enabling access to novel macrocyclic Tyk2 inhibitors.

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q24x5cd0
title: BindingDB Entry 50011706: Identification of Tricyclic Agonists of Sphingosine-1-phosphate Receptor 1 (S1P

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Nuclear receptor subfamily 1 group I member 2, Sphingosine 1-phosphate receptor 1, and Sphingosine 1-phosphate receptor 3, Uniprot O75469, P05177, P08684, P10632, P10635, P11712, P20813, P21453, P33261, P40989, P48303, and Q99500
DOI: 10.7270/q24x5cff
title: BindingDB Entry 50012055: Synthesis of functionalized derivatives of the gamma-secretase modulator BMS-932481 and identification of its major metabolite.

description: Small molecule binding data for protein Cytochrome P450 3A4 and Presenilin-1, Uniprot P08684 and P49768
DOI: 10.7270/q24x5cgw
title: BindingDB Entry 50012330: Selective targeting of the αC and DFG-out pocket in p38 MAPK.

description: Small molecule binding data for protein Discoidin domain-containing receptor 2, Ephrin type-A receptor 1, Epithelial discoidin domain-containing receptor 1, Fibroblast growth factor receptor 3, Mitogen-activated protein kinase 11, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase kinase kinase 20, Mitogen-activated protein kinase kinase kinase 4, Receptor-type tyrosine-protein kinase FLT3, Serine/threonine-protein kinase STK11, and Tyrosine-protein kinase ABL1, Uniprot P00519, P21709, P22607, P36888, Q08345, Q15759, Q15831, Q16539, Q16832, Q9NYL2, and Q9Y6R4