cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2qr4ztk
title: BindingDB Entry 50045457: Design, synthesis and SAR studies of GABA uptake inhibitors derived from 2-substituted pyrrolidine-2-yl-acetic acids.

description: Small molecule binding data for protein GABA transporter 1, Norepinephrine transporter, SLC6A3, and SLC6A4, Uniprot O55192, P23978, P30531, Q60857, and Q61327
DOI: 10.7270/q2qv3p22
title: BindingDB Entry 50044472: Discovery of 1-arylpyrrolidone derivatives as potent p53-MDM2 inhibitors based on molecule fusing strategy.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2r2130r
title: BindingDB Entry 50045006: Investigating the binding interactions of the anti-Alzheimer's drug donepezil with CYP3A4 and P-glycoprotein.

description: Small molecule binding data for protein Cytochrome P450 3A and P-glycoprotein 1, Uniprot P08183 and P08684
DOI: 10.7270/q2rx9dfz
title: BindingDB Entry 50042881: ß-Secretase (BACE1) inhibitors with high in vivo efficacy suitable for clinical evaluation in Alzheimer's disease.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2 (BACE2), Cathepsin D, Cathepsin E, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Pepsin A, and Renin, Uniprot P00791, P00797, P07339, P08684, P10635, P11712, P14091, P56817, and Q9Y5Z0
DOI: 10.7270/q2tx3h4h
title: BindingDB Entry 50045967: Peptidic inhibitors for in vitro pentamer formation of human papillomavirus capsid protein l1.

description: Small molecule binding data for protein Major capsid protein L1, Uniprot P03101
DOI: 10.7270/q2v69m3n
title: BindingDB Entry 50043964: HTS followed by NMR based counterscreening. Discovery and optimization of pyrimidones as reversible and competitive inhibitors of xanthine oxidase.

description: Small molecule binding data for protein Xanthine dehydrogenase, Xanthine dehydrogenase/oxidase, and Xanthine oxidase, Uniprot P22985, P47989, and P80457
DOI: 10.7270/q2vd70x8
title: BindingDB Entry 50043337: Synthesis and biological evaluation of berberine-thiophenyl hybrids as multi-functional agents: Inhibition of acetylcholinesterase, butyrylcholinesterase, and Aß aggregation and antioxidant activity.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2vm4dtt
title: BindingDB Entry 50044471: Adenosine analogue inhibitors of S-adenosylhomocysteine hydrolase.

description: Small molecule binding data for protein Adenosylhomocysteinase, Uniprot P23526
DOI: 10.7270/q2vt1tpx
title: BindingDB Entry 50045005: Synthesis and biological evaluation of novel chiral diazepine derivatives as bombesin receptor subtype-3 (BRS-3) agonists incorporating an antedrug approach.

description: Small molecule binding data for protein BRS3 and Bombesin receptor subtype-3, Uniprot O54798 and P32247
DOI: 10.7270/q2wm1fsz
title: BindingDB Entry 50042880: Pyridine-substituted desoxyritonavir is a more potent inhibitor of cytochrome P450 3A4 than ritonavir.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2zp47vt
title: BindingDB Entry 50045966: Design and Synthesis of Acetylenyl Benzamide Derivatives as Novel Glucokinase Activators for the Treatment of T2DM.

description: Small molecule binding data for protein Hexokinase type IV, Uniprot P35557
DOI: 10.7270/q20g3mhr
title: BindingDB Entry 50042887: Development of 2'-substituted (2S,1'R,2'S)-2-(carboxycyclopropyl)glycine analogues as potent N-methyl-d-aspartic acid receptor agonists.

description: Small molecule binding data for protein Glutamate [NMDA] receptor subunit epsilon 1/zeta 1, Glutamate [NMDA] receptor subunit epsilon 2/zeta 1, and Glutamate [NMDA] receptor subunit epsilon 3/zeta 1, Uniprot P35439, Q00959, Q00960, and Q00961
DOI: 10.7270/q22f7q59
title: BindingDB Entry 50045973: Novel benzamide-based histamine h3 receptor antagonists: the identification of two candidates for clinical development.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Histamine receptor (H3), and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, Q12809, and Q9Y5N1
DOI: 10.7270/q22z16z9
title: BindingDB Entry 50043343: Substituted tetrahydroisoquinolines as selective antagonists for the orexin 1 receptor.

description: Small molecule binding data for protein Orexin receptor 1 and Orexin receptor 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q2348mxh
title: BindingDB Entry 50044477: 8-Substituted 2-alkynyl-N(9)-propargyladenines as A2A adenosine receptor antagonists.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a) and Adenosine receptor A2a, Uniprot P29274 and P30543
DOI: 10.7270/q23b61rj
title: BindingDB Entry 50045011: Design, synthesis and evaluation of novel 5-phenylpyridin-2(1H)-one derivatives as potent reversible Bruton's tyrosine kinase inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q25h7hr2
title: BindingDB Entry 50043977: Preparation and optimization of new 4-(2-(indolin-1-yl)-2-oxoethyl)-2-morpholinothiazole-5-carboxylic acid and amide derivatives as potent and selective PI3Kß inhibitors.

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/q2668fwm
title: BindingDB Entry 50045972: Discovery of a Potent and Orally Bioavailable Dual Antagonist of CC Chemokine Receptors 2 and 5.

description: Small molecule binding data for protein C-C chemokine receptor type 2, C-C chemokine receptor type 5, Cytochrome P450 2D6 (2D6), Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M2 and M4, and Voltage-gated potassium channel, Uniprot O95950, P08172, P08173, P10635, P11229, P41597, P51681, and Q12809
DOI: 10.7270/q26d5vhk
title: BindingDB Entry 50043969: Synthesis, biological evaluation and molecular modelling studies of 4-anilinoquinazoline derivatives as protein kinase inhibitors.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Dual specificty protein kinase CLK1, and Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A, Uniprot P49759, Q00535, Q15078, and Q63470
DOI: 10.7270/q26q1zn6
title: BindingDB Entry 50043342: Synthesis and biological evaluation of novel benzyl-substituted (S)-phenylalanine derivatives as potent dipeptidyl peptidase 4 inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase IX and Dipeptidyl peptidase VIII, Uniprot Q6V1X1 and Q86TI2
DOI: 10.7270/q26t0p6q
title: BindingDB Entry 50044476: Development of a new class of proteasome inhibitors with an epoxyketone warhead: Rational hybridization of non-peptidic belactosin derivatives and peptide epoxyketones.

description: Small molecule binding data for protein Proteasome subunit beta type-7, Uniprot Q99436
DOI: 10.7270/q26t0p92
title: BindingDB Entry 50045461: 2-Benzisothiazolylimino-5-benzylidene-4-thiazolidinones as protective agents against cartilage destruction.

description: Small molecule binding data for protein Collagenase and Stromelysin-1, Uniprot P08254 and P45452
DOI: 10.7270/q2736sjs
title: BindingDB Entry 50045010: Design, synthesis and structure-activity relationship studies of novel sirtuin 2 (SIRT2) inhibitors with a benzamide skeleton.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1, NAD-dependent deacetylase sirtuin 2, and NAD-dependent protein deacetylase sirtuin-3 (SIRT3), Uniprot Q8IXJ6, Q96EB6, and Q9NTG7
DOI: 10.7270/q27w6dj5
title: BindingDB Entry 50042885: Protein kinase inhibitor design by targeting the Asp-Phe-Gly (DFG) motif: the role of the DFG motif in the design of epidermal growth factor receptor inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q29z96m1
title: BindingDB Entry 50045971: Discovery of a Novel Series of Thienopyrimidine as Highly Potent and Selective PI3K Inhibitors.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2bc410f
title: BindingDB Entry 50043341: Synthesis, enzyme kinetics and computational evaluation of N-(ß-D-glucopyranosyl) oxadiazolecarboxamides as glycogen phosphorylase inhibitors.

description: Small molecule binding data for protein Glycogen phosphorylase, muscle form, Uniprot P00489
DOI: 10.7270/q2bv7j86
title: BindingDB Entry 50045009: Novel heterocyclic scaffolds of GW4064 as farnesoid X receptor agonists.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2cn758w
title: BindingDB Entry 50042884: Pyranoflavones: a group of small-molecule probes for exploring the active site cavities of cytochrome P450 enzymes 1A1, 1A2, and 1B1.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 1A1, Cytochrome P450 2A6, and Cytochrome P450 2B6, Uniprot P04798, P05177, P11509, and P20813
DOI: 10.7270/q2fq9zbc
title: BindingDB Entry 50045970: Discovery of a Selective TRPM8 Antagonist with Clinical Efficacy in Cold-Related Pain.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily M member 8 (TRPM8) and Voltage-gated potassium channel, Uniprot Q12809 and Q7Z2W7
DOI: 10.7270/q2fx7bxv
title: BindingDB Entry 50043967: Synthesis and biological evaluation of new carbohydrate-substituted indenoisoquinoline topoisomerase I inhibitors and improved syntheses of the experimental anticancer agents indotecan (LMP400) and indimitecan (LMP776).

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 1 (TDP1), Uniprot Q9NUW8
DOI: 10.7270/q2g44rqc
title: BindingDB Entry 50043340: Selectivity data: assessment, predictions, concordance, and implications.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Cyclin-Dependent Kinase 5 (CDK5), Cyclin-dependent kinase 9, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Hepatocyte growth factor receptor, JAK3/JAK1, MAP kinase-activated protein kinase 5, Macrophage colony stimulating factor receptor, Platelet-derived growth factor receptor, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PIM, Tyrosine-protein kinase ABL1, and Tyrosine-protein kinase receptor FLT3, Uniprot O14965, P00519, P07333, P08581, P11309, P16234, P36888, P50750, P52333, Q00535, Q05397, Q8IW41, and Q9UM73
DOI: 10.7270/q2hd7x1p
title: BindingDB Entry 50042883: Rational design and binding mode duality of MDM2-p53 inhibitors.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2jq12g9
title: BindingDB Entry 50043974: Quality by design (QbD) of amide isosteres: 5,5-Disubstituted isoxazolines as potent CRTh2 antagonists with favorable pharmacokinetic and drug-like properties.

description: Small molecule binding data for protein G protein-coupled receptor 44, Uniprot Q9Y5Y4
DOI: 10.7270/q2k35w68
title: BindingDB Entry 50044481: Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain expo

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Leukocyte tyrosine kinase receptor, NT-3 growth factor receptor, Neurotrophic tyrosine kinase receptor, Neurotrophic tyrosine kinase receptor type 2, PTK2B protein tyrosine kinase 2 beta (PTK2B), Proto-oncogene tyrosine-protein kinase ROS, SRC, Tyrosine kinase non-receptor protein 2, Tyrosine-protein kinase FER, and Tyrosine-protein kinase Fes/Fps, Uniprot P04629, P07332, P08922, P16591, P29376, P42685, Q05397, Q07912, Q14289, Q16288, Q16620, and Q9UM73
DOI: 10.7270/q2kh0q2n
title: BindingDB Entry 50045969: Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.

description: Small molecule binding data for protein MAP kinase p38, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 9, and c-Jun N-terminal kinase, JNK, Uniprot O15264, P45983, P45984, P53778, P53779, Q15759, and Q16539
DOI: 10.7270/q2m90b9g
title: BindingDB Entry 50045007: Identification of N-{[6-chloro-4-(2,6-dimethoxyphenyl)quinazolin-2-yl]carbonyl}-l-leucine (NTRC-808), a novel nonpeptide chemotype selective for the neurotensin receptor type 2.

description: Small molecule binding data for protein Neurotensin receptor 1 and Neurotensin receptor 2, Uniprot P20789 and Q63384
DOI: 10.7270/q2pg1t6n
title: BindingDB Entry 50043973: Synthesis of novel l-rhamnose derived acyclic C-nucleosides with substituted 1,2,3-triazole core as potent sodium-glucose co-transporter (SGLT) inhibitors.

description: Small molecule binding data for protein Sodium/glucose cotransporter 1 (SGLT1) and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P13866 and P31639
DOI: 10.7270/q2pv6n2g
title: BindingDB Entry 50045465: Design and synthesis of a novel series of [1-(4-hydroxy-benzyl)-1H-indol-5-yloxy]-acetic acid compounds as potent, selective, thyroid hormone receptorß agonists.

description: Small molecule binding data for protein Thyroid Hormone Receptor (TR-beta) and Thyroid hormone receptor, Uniprot F1D8N7, P10827, and P10828
DOI: 10.7270/q2t72jxz
title: BindingDB Entry 50043972: New C(4)- and C(1)-derivatives of furo[3,4-c]pyridine-3-ones and related compounds: evidence for site-specific inhibition of the constitutive proteasome and its immunoisoform.

description: Small molecule binding data for protein Proteasome Macropain subunit and Proteasome component C5, Uniprot P20618 and P49721
DOI: 10.7270/q2tm7cpf
title: BindingDB Entry 50044479: Discovery of camphor-derived pyrazolones as 11ß-hydroxysteroid dehydrogenase type 1 inhibitors.

description: Small molecule binding data for protein 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1), 11-beta-hydroxysteroid dehydrogenase 1, and Cytochrome P450 3A, Uniprot P08684, P16232, and P28845
DOI: 10.7270/q2tm7css
title: BindingDB Entry 50045464: SAH derived potent and selective EZH2 inhibitors.

description: Small molecule binding data for protein ERG-associated protein with SET domain (ESET), Enhancer of zeste homolog 1 (EZH1), Histone-lysine N-methyltransferase EHMT1, Histone-lysine N-methyltransferase EZH2, Histone-lysine N-methyltransferase SUV39H1, Histone-lysine N-methyltransferase SUV39H2 (Suv39H2), Myeloid/lymphoid or mixed-lineage leukemia (MLL), Protein G9a (G9a), Protein lysine methyltransferase SUV4-20H2 (SUV4-20H2), SET and MYND domain-containing protein 2 (SMYD2), and SET domain-containing protein 7/9 (Set7/9), Uniprot O43463, Q03164, Q15047, Q15910, Q86Y97, Q8WTS6, Q92800, Q96KQ7, Q9H5I1, Q9H9B1, and Q9NRG4
DOI: 10.7270/q2tt4sk0
title: BindingDB Entry 50045013: Inhibition of O-GlcNAcase (OGA): A Potential Therapeutic Target to Treat Alzheimer's Disease.

description: Small molecule binding data for protein N-acetyl-beta-D-glucosaminidase (O-GlcNAcase) and Protein O-GlcNAcase, Uniprot O60502 and Q8VIJ5
DOI: 10.7270/q2xp76p0
title: BindingDB Entry 50045974: Azolylthioacetamide: A Highly Promising Scaffold for the Development of Metallo-ß-lactamase Inhibitors.

description: Small molecule binding data for protein Beta-lactamase
DOI: 10.7270/q2z039np
title: BindingDB Entry 50043971: Design, synthesis and biological evaluation of hetero-aromatic moieties substituted pyrrole-2-carbonitrile derivatives as dipeptidyl peptidase IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase IX and Dipeptidyl peptidase VIII, Uniprot Q6V1X1 and Q86TI2
DOI: 10.7270/q2z60qhs
title: BindingDB Entry 50043344: The first synthesis of natural disulfide bruguiesulfurol and biological evaluation of its derivatives as a novel scaffold for PTP1B inhibitors.

description: Small molecule binding data for protein Protein tyrosine phosphatase SHP-2 (SHP-2), Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Receptor-type tyrosine-protein phosphatase F (LAR), and T-cell protein-tyrosine phosphatase, Uniprot P10586, P17706, P18031, P29350, and Q06124
DOI: 10.7270/q2z89f36
title: BindingDB Entry 50045463: Novelß-amyloid aggregation inhibitors possessing a turn mimic.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2zc84fm
title: BindingDB Entry 50044478: Synthesis of isoquinolinone-based tricycles as novel poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q21r6s1r
title: BindingDB Entry 50043978: Polyphenols bearing cinnamaldehyde scaffold showing cell growth inhibitory effects on the cisplatin-resistant A2780/Cis ovarian cancer cells.

description: Small molecule binding data for protein Serine/threonine-protein kinase Aurora, Uniprot O14965
DOI: 10.7270/q2222wgq
title: BindingDB Entry 50045470: Selective CB2 receptor agonists. Part 1: the identification of novel ligands through computer-aided drug design (CADD) approaches.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2251kr7
title: BindingDB Entry 50044485: Synthesis of rigidified eIF4E/eIF4G inhibitor-1 (4EGI-1) mimetic and their in vitro characterization as inhibitors of protein-protein interaction.

description: Small molecule binding data for protein Eukaryotic translation initiation factor 4E (eIF4E), Uniprot P06730
DOI: 10.7270/q22b90nm
title: BindingDB Entry 50045019: Crystal Structure of Sphingosine Kinase 1 with PF-543.

description: Small molecule binding data for protein Sphingosine kinase 1 (SPHK1), Uniprot Q9NYA1
DOI: 10.7270/q25t3n5p
title: BindingDB Entry 50045469: Design and synthesis of new tricyclic indoles as potent modulators of the S1P1 receptor.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, Sphingosine 1-phosphate receptor 1, Sphingosine 1-phosphate receptor 1 (S1P1), Sphingosine 1-phosphate receptor 3, and Sphingosine-1-phosphate receptor 1, Uniprot O08530, O95136, O95977, P21453, P48303, Q99500, and Q9H228
DOI: 10.7270/q25x2bgn
title: BindingDB Entry 50044484: Solving time-dependent CYP3A4 inhibition for a series of indole-phenylacetic acid dual antagonists of the PGD(2) receptors CRTH2 and DP.

description: Small molecule binding data for protein G protein-coupled receptor 44 and Prostanoid DP receptor, Uniprot Q13258 and Q9Y5Y4
DOI: 10.7270/q29025hz
title: BindingDB Entry 50045979: Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors.

description: Small molecule binding data for protein SRC, Uniprot P06241
DOI: 10.7270/q2959k2g
title: BindingDB Entry 50043976: Development of tag-free photoprobes for studies aimed at identifying the target of novel Group A Streptococcus antivirulence agents.

description: Small molecule binding data for protein Streptokinase, Uniprot P96471
DOI: 10.7270/q29k4ct3
title: BindingDB Entry 50044483: Structure-activity relationship studies of N-methylated and N-hydroxylated spider polyamine toxins as inhibitors of ionotropic glutamate receptors.

description: Small molecule binding data for protein Glutamate [NMDA] receptor subunit epsilon 1/zeta 1 and Glutamate receptor 1 (GluA1), Uniprot P19490, P35439, and Q00959
DOI: 10.7270/q29k4cxf
title: BindingDB Entry 50045468: Novel fatty acid binding protein 4 (FABP4) inhibitors: virtual screening, synthesis and crystal structure determination.

description: Small molecule binding data for protein Fatty acid binding protein muscle, Fatty acid-binding protein 4 (FABP4), and Fatty acid-binding protein 5 (FABP5), Uniprot P05413, P15090, and Q01469
DOI: 10.7270/q29w0h4c
title: BindingDB Entry 50045017: Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor.

description: Small molecule binding data for protein Adenosine receptor A3, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, Sphingosine 1-phosphate receptor 1, Sphingosine 1-phosphate receptor 1 (S1P1), Sphingosine 1-phosphate receptor 3, Sphingosine-1-phosphate receptor 1, and Voltage-gated potassium channel, Uniprot O08530, O95136, O95977, P05177, P08684, P0DMS8, P10635, P11712, P21453, P33261, P48303, Q12809, Q99500, and Q9H228
DOI: 10.7270/q2dr2x70
title: BindingDB Entry 50045978: Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II.

description: Small molecule binding data for protein Glutamate carboxypeptidase II, Uniprot Q04609
DOI: 10.7270/q2dz09s1
title: BindingDB Entry 50043975: Synthesis and evaluation of 2-(1H-indol-3-yl)-4-phenylquinolines as inhibitors of cholesterol esterase.

description: Small molecule binding data for protein Acetylcholinesterase and Leukocyte elastase, Uniprot O42275 and P08246
DOI: 10.7270/q2f47qk0
title: BindingDB Entry 50043348: Synthesis and structure-activity relationship (SAR) of 2-methyl-4-oxo-3-oxetanylcarbamic acid esters, a class of potent N-acylethanolamine acid amidase (NAAA) inhibitors.

description: Small molecule binding data for protein N-acylethanolamine acid amidase (NAAA) and N-acylethanolamine-hydrolyzing acid amidase (NAAA), Uniprot Q02083 and Q5KTC7
DOI: 10.7270/q2fb54hc
title: BindingDB Entry 50044482: The dipeptide H-Trp-Glu-OH (WE) shows agonistic activity to peroxisome proliferator-activated protein-a and reduces hepatic lipid accumulation in lipid-loaded H4IIE cells.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor and Peroxisome proliferator-activated receptor alpha (PPAR alpha), Uniprot P37231 and Q07869
DOI: 10.7270/q2fb54n5
title: BindingDB Entry 50045467: Synthesis of a chondroitin sulfate disaccharide library and a GAG-binding protein interaction analysis.

description: Small molecule binding data for protein Basic fibroblast growth factor, Uniprot P09038
DOI: 10.7270/q2fn17vp
title: BindingDB Entry 50045016: Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).

description: Small molecule binding data for protein Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07820
DOI: 10.7270/q2hq41f8
title: BindingDB Entry 50043982: Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.

description: Small molecule binding data for protein Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07820
DOI: 10.7270/q2jh3nxv
title: BindingDB Entry 50045977: First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.

description: Small molecule binding data for protein Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), Uniprot P00492
DOI: 10.7270/q2jw8g9d
title: BindingDB Entry 50043347: Spirolactam-based acetyl-CoA carboxylase inhibitors: toward improved metabolic stability of a chromanone lead structure.

description: Small molecule binding data for protein Acetyl-CoA carboxylase 1 (ACC1) and Acetyl-CoA carboxylase 2 (ACC2), Uniprot O00763 and Q13085