cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2j96bc1
title: BindingDB Entry 50016138: Novel anilinopyrimidine derivatives as potential EGFR

description: Small molecule binding data for protein Aurora kinase A, Cyclin-T1/Cyclin-dependent kinase 9, Cyclin-dependent kinase 6/G1/S-specific cyclin-D3, Ephrin type-A receptor 1, Ephrin type-B receptor 2, Epidermal growth factor receptor, Focal adhesion kinase 1, Hepatocyte growth factor receptor, Mast/stem cell growth factor receptor Kit, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 3, Mitogen-activated protein kinase 8, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Platelet-derived growth factor receptor alpha, Platelet-derived growth factor receptor beta, Polycystin-1, Protein-tyrosine kinase 6, Proto-oncogene tyrosine-protein kinase ROS, Proto-oncogene tyrosine-protein kinase receptor Ret, RAC-gamma serine/threonine-protein kinase, Rho-associated protein kinase 1, Ribosomal protein S6 kinase alpha-1, Serine/threonine-protein kinase B-raf, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase pim-1, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Fer, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase receptor UFO, Uniprot O14757, O14965, O60563, O60674, P00533, P07949, P08581, P08922, P09619, P10721, P11309, P15056, P16234, P16591, P21709, P27361, P29323, P30281, P30530, P42336, P45983, P50750, P98161, Q00534, Q05397, Q06187, Q13464, Q13882, Q15418, Q16539, and Q9Y243
DOI: 10.7270/q2p27346
title: BindingDB Entry 50016137: Distal kinetic deuterium isotope effect: Phenyl ring deuteration attenuates N-demethylation of Lu AF35700.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 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-1B adrenergic receptor, Alpha-1D adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, D(1A) dopamine receptor, D(1B) dopamine receptor, D(2) dopamine receptor, D(3) dopamine receptor, D(4) dopamine receptor, Histamine H1 receptor, and Sodium-dependent dopamine transporter, Uniprot P08908, P08913, P14416, P18089, P18825, P21728, P21917, P21918, P25100, P28223, P28335, P28564, P34969, P35348, P35367, P35368, P35462, P41595, P50406, and Q01959
DOI: 10.7270/q2st7tvt
title: BindingDB Entry 50016136: Synthesis and biological evaluation of novel pentanediamide derivatives as S-adenosyl-l-homocysteine hydrolase inhibitors.

description: Small molecule binding data for protein Adenosylhomocysteinase, Uniprot P23526
DOI: 10.7270/q2xk8kj3
title: BindingDB Entry 50016135: Design, synthesis and biological evaluation of quinoline-2-carbonitrile-based hydroxamic acids as dual tubulin polymerization and histone deacetylases inhibitors.

description: Small molecule binding data for protein Histone deacetylase 11, Histone deacetylase 6, and Histone deacetylase 8, Uniprot Q96DB2, Q9BY41, and Q9UBN7
DOI: 10.7270/q2280cmm
title: BindingDB Entry 50016134: Discovery of novel biphenyl-substituted pyridone derivatives as potent non-nucleoside reverse transcriptase inhibitors with promising oral bioavailability.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Potassium voltage-gated channel subfamily H member 2, and Reverse transcriptase/RNaseH, Uniprot P05177, P08684, P10635, P11712, P33261, Q12809, and Q72547
DOI: 10.7270/q261149w
title: BindingDB Entry 50016132: 7-Azaindole, 2,7-diazaindole, and 1H-pyrazole as core structures for novel anticancer agents with potential chemosensitizing properties.

description: Small molecule binding data for protein Serine/threonine-protein kinase ATR, Uniprot Q13535
DOI: 10.7270/q29s1w1x
title: BindingDB Entry 50016131: The protective effects of natural product tunicatachalcone against neuroinflammation via targeting RIPK2 in microglia BV-2 cells stimulated by LPS.

description: Small molecule binding data for protein Receptor-interacting serine/threonine-protein kinase 2, Uniprot O43353
DOI: 10.7270/q2fj2msp
title: BindingDB Entry 50016129: Design, synthesis and pharmacological evaluation of new PARP1 inhibitors by merging pharmacophores of olaparib and the natural product alantolactone.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Uniprot P09874
DOI: 10.7270/q2k93cjv
title: BindingDB Entry 50016127: Synthesis and biological evaluation of a tumor-selective degrader of PARP1.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Uniprot P09874
DOI: 10.7270/q2q2448k
title: BindingDB Entry 50016126: Design, synthesis, and biological evaluation of novel double-winged galloyl derivatives as HIV-1 RNase H inhibitors.

description: Small molecule binding data for protein Reverse transcriptase/RNaseH, Uniprot Q72547
DOI: 10.7270/q2tt4vx9
title: BindingDB Entry 50016123: Design, synthesis and evaluation of 2-(2-oxoethyl)pyrimidine-5-carboxamide derivatives as acetylcholinesterase inhibitors.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 4, Acetylcholinesterase, and Cholinesterase, Uniprot O42275, P06276, P22303, and Q13639
DOI: 10.7270/q2zg6x7q
title: BindingDB Entry 50016122: Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase pim-1, Uniprot P11309
DOI: 10.7270/q2377dpj
title: BindingDB Entry 50016121: A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q27085d8
title: BindingDB Entry 50016120: Discovery and preclinical evaluations of JBD0131, a novel nitrodihydro-imidazooxazole anti-tuberculosis agent.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Kinesin-like protein KIF21A, Potassium voltage-gated channel subfamily D member 3, Potassium voltage-gated channel subfamily H member 2, Sodium channel protein type 5 subunit alpha, and Voltage-dependent L-type calcium channel subunit alpha-1C, Uniprot P05177, P08684, P10632, P10635, P11712, P20813, P33261, Q12809, Q13936, Q14524, Q7Z4S6, and Q9UK17
DOI: 10.7270/q2br8x5r
title: BindingDB Entry 50016119: Synthesis and evaluation of inhibitors of Mycobacterium tuberculosis UGM using bioisosteric replacement.

description: Small molecule binding data for protein UDP-galactopyranose mutase, Uniprot P9WIQ1 and Q48485
DOI: 10.7270/q2gh9nzz
title: BindingDB Entry 50016118: Improving the solubility and antileukemia activity of Wnt/β-catenin signaling inhibitors by disrupting molecular planarity.

description: Small molecule binding data for protein Protein Wnt-3a, Uniprot P56704
DOI: 10.7270/q2m90dns
title: BindingDB Entry 50016117: Discovery of dual inhibitors of topoisomerase I and Cyclooxygenase-2 for colon cancer therapy.

description: Small molecule binding data for protein Cytochrome c oxidase subunit 2, Uniprot P00403
DOI: 10.7270/q2r215b2
title: BindingDB Entry 50016116: Structure-activity relationships of 2-pyrimidinecarbohydrazides as utrophin modulators for the potential treatment of Duchenne muscular dystrophy.

description: Small molecule binding data for protein Utrophin, Uniprot E9Q6R7
DOI: 10.7270/q2vq36p6
title: BindingDB Entry 50016115: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.

description: Small molecule binding data for protein Nitric oxide synthase, brain, Nitric oxide synthase, endothelial, and Nitric oxide synthase, inducible, Uniprot P29474, P29475, P29476, and P35228
DOI: 10.7270/q20g3q42
title: BindingDB Entry 50016114: Design, synthesis, and bioactivity study on Lissodendrins B derivatives as PARP1 inhibitor.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Uniprot P09874
DOI: 10.7270/q2474fvc
title: BindingDB Entry 50016113: Design, synthesis, and biological evaluation of a new series of pyrazole derivatives: Discovery of potent and selective JNK3 kinase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2D6, Cytochrome P450 3A4, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8, Mitogen-activated protein kinase 9, Platelet-derived growth factor receptor alpha, Potassium voltage-gated channel subfamily H member 2, and Vascular endothelial growth factor receptor 3, Uniprot P08684, P10635, P16234, P35916, P45983, P45984, P53779, and Q12809
DOI: 10.7270/q28056mj
title: BindingDB Entry 50016112: Discovery of 2-thiobenzimidazoles as noncovalent inhibitors of SARS-CoV-2 main protease.

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q2cr5zc1
title: BindingDB Entry 50016111: Discovery of potent dual ligands for dopamine D4 and σ1 receptors.

description: Small molecule binding data for protein D(2) dopamine receptor, D(3) dopamine receptor, D(4) dopamine receptor, Potassium voltage-gated channel subfamily H member 2, and Sigma non-opioid intracellular receptor 1, Uniprot P14416, P21917, P35462, Q12809, Q60492, and Q99720
DOI: 10.7270/q2hh6q29
title: BindingDB Entry 50016110: Synthesis and biological evaluation of 4H-benzo[e][1,3]oxazin-4-ones analogues of TGX-221 as inhibitors of PI3Kβ.

description: Small molecule binding data for protein DNA-dependent protein kinase catalytic subunit and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Uniprot P42338 and P78527
DOI: 10.7270/q2n87fr5
title: BindingDB Entry 50016109: Design, synthesis and biological evaluation of novel aminopropylcarboxamide derivatives as sigma ligands.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Sigma intracellular receptor 2, and Sigma non-opioid intracellular receptor 1, Uniprot P35372, P41143, P41145, Q5BJF2, and Q99720
DOI: 10.7270/q2rx9h28
title: BindingDB Entry 50016108: Identification and in vitro characterization of a new series of potent and highly selective G9a inhibitors as novel anti-fibroadipogenic agents.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EHMT1 and Histone-lysine N-methyltransferase EHMT2, Uniprot Q96KQ7 and Q9H9B1
DOI: 10.7270/q2wq07rp
title: BindingDB Entry 50016107: Exploration of 4-(1H-indol-3-yl)cyclohex-3-en-1-amine analogues as HDAC inhibitors: Design, synthesis, biological evaluation and modelling studies.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 6, and Histone deacetylase 8, Uniprot O15379, Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q21g0r70
title: BindingDB Entry 50016105: Discovery and SAR of 4-aminopyrrolidine-2-carboxylic acid correctors of CFTR for the treatment of cystic fibrosis.

description: Small molecule binding data for protein Cystic fibrosis transmembrane conductance regulator, Uniprot P13569
DOI: 10.7270/q2571h05
title: BindingDB Entry 50016104: Development of an automated screen for Kv7.2 potassium channels and discovery of a new agonist chemotype.

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily KQT member 2/3, Potassium voltage-gated channel subfamily KQT member 4, and Potassium voltage-gated channel subfamily KQT member 5, Uniprot O43525, O43526, P56696, and Q9NR82
DOI: 10.7270/q29027sc
title: BindingDB Entry 50016102: Discovery of novel Thieno[2,3-d]imidazole derivatives as agonists of human STING for antitumor immunotherapy using systemic administration.

description: Small molecule binding data for protein Stimulator of interferon genes protein, Uniprot Q3TBT3 and Q86WV6
DOI: 10.7270/q2dr30gb
title: BindingDB Entry 50016100: Synthesis and initial in vitro evaluation of PSMA-targeting ligands with a modified aromatic moiety at the lysine ε-nitrogen atom.

description: Small molecule binding data for protein Glutamate carboxypeptidase 2, Uniprot Q04609
DOI: 10.7270/q2jd51sb
title: BindingDB Entry 50016099: Evaluation of chromane derivatives: Promising privileged scaffolds for lead discovery within Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q2p55sg7
title: BindingDB Entry 50016098: Diazepinone HBV capsid assembly modulators.

description: Small molecule binding data for protein Capsid protein, Uniprot Q03732
DOI: 10.7270/q2sx6j56
title: BindingDB Entry 50016096: Discovery of 5-methyl-1H-benzo[d]imidazole derivatives as novel P2X3 Receptor antagonists.

description: Small molecule binding data for protein P2X purinoceptor 2/3 and P2X purinoceptor 3, Uniprot P56373 and Q9UBL9
DOI: 10.7270/q2xp78wh
title: BindingDB Entry 50016093: Bioevaluation of a dual PI3K/HDAC inhibitor for the treatment of diffuse large B-cell lymphoma.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 4, Histone deacetylase 6, Histone deacetylase 8, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P42336, P42338, P48736, P56524, Q13547, Q92769, Q96DB2, Q9BY41, and Q9UBN7
DOI: 10.7270/q22f7sd8
title: BindingDB Entry 50016092: Design, synthesis and antitumor activity study of PARP-1/HDAC dual targeting inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 6, Histone deacetylase 8, Poly [ADP-ribose] polymerase 1, and Vascular endothelial growth factor receptor 2, Uniprot O15379, P09874, P35968, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2668j5f
title: BindingDB Entry 50016091: Discovery and preclinical profile of sudapyridine (WX-081), a novel anti-tuberculosis agent.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Potassium voltage-gated channel subfamily H member 2, Sodium channel protein type 5 subunit alpha, and Voltage-dependent L-type calcium channel subunit alpha-1C, Uniprot P05177, P08684, P10635, P11712, P33261, Q12809, Q13936, and Q14524
DOI: 10.7270/q29z98v0
title: BindingDB Entry 50016090: Development of novel conformationally restricted selective Clk1/4 inhibitors through creating an intramolecular hydrogen bond involving an imide linker.

description: Small molecule binding data for protein Dual specificity protein kinase CLK1, Dual specificity protein kinase CLK2, Dual specificity protein kinase CLK4, and Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Uniprot O35491, O35493, P22518, P49759, P49760, Q13627, Q61214, and Q9HAZ1
DOI: 10.7270/q2fn1b6d
title: BindingDB Entry 50016088: Selective inhibition of histone deacetylase 3 by novel hydrazide based small molecules as therapeutic intervention for the treatment of cancer.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, and Histone deacetylase 8, Uniprot O15379, P56524, Q13547, Q92769, Q9BY41, Q9UBN7, and Q9UQL6
DOI: 10.7270/q2kd22w8
title: BindingDB Entry 50016086: Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors.

description: Small molecule binding data for protein Coagulation factor X, Prothrombin, and Suppressor of tumorigenicity 14 protein, Uniprot P00735, P00742, and Q9Y5Y6
DOI: 10.7270/q2q52tk5
title: BindingDB Entry 50016085: Discovery of 4-(3-aminopyrrolidinyl)-3-aryl-5-(benzimidazol-2-yl)-pyridines as potent and selective SST5 agonists for the treatment of congenital hyperinsulinism.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Potassium voltage-gated channel subfamily H member 2, Somatostatin receptor type 1, Somatostatin receptor type 2, Somatostatin receptor type 3, Somatostatin receptor type 4, and Somatostatin receptor type 5, Uniprot P08684, P10635, P11712, P30680, P30872, P30874, P31391, P32745, P33261, P35346, and Q12809
DOI: 10.7270/q2tx3kb1
title: BindingDB Entry 50016084: Glycosylation increases the anti-QS as well as anti-biofilm and anti-adhesion ability of the cyclo (L-Trp-L-Ser) against Pseudomonas aeruginosa.

description: Small molecule binding data for protein PA-I galactophilic lectin, Uniprot Q05097
DOI: 10.7270/q2zp4b36
title: BindingDB Entry 50016083: New TRPM8 blockers exert anticancer activity over castration-resistant prostate cancer models.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily M member 8, Uniprot Q8R455
DOI: 10.7270/q23f4tn0
title: BindingDB Entry 50016082: New peptidomimetic rhodesain inhibitors with improved selectivity towards human cathepsins.

description: Small molecule binding data for protein Cathepsin B, Cysteine protease, and Procathepsin L, Uniprot P07711, P07858, and Q95PM0
DOI: 10.7270/q2765k9t
title: BindingDB Entry 50016081: Discovery of a potent, selective and cell active inhibitor of m

description: Small molecule binding data for protein Alpha-ketoglutarate-dependent dioxygenase FTO, Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3, DNA oxidative demethylase ALKBH2, Nucleic acid dioxygenase ALKBH1, and RNA demethylase ALKBH5, Uniprot Q13686, Q6NS38, Q6P6C2, Q96Q83, and Q9C0B1
DOI: 10.7270/q2bv7mmh
title: BindingDB Entry 50016079: Synthesis and Structure-Activity relationships of cyclin-dependent kinase 11 inhibitors based on a diaminothiazole scaffold.

description: Small molecule binding data for protein Cyclin-T1/Cyclin-dependent kinase 9, Cyclin-dependent kinase 11A, Cyclin-dependent kinase 4/G1/S-specific cyclin-D1, and Cyclin-dependent kinase 6/G1/S-specific cyclin-D1, Uniprot O60563, P11802, P24385, P50750, Q00534, and Q9UQ88
DOI: 10.7270/q2gm8c8b
title: BindingDB Entry 50016077: Design and synthesis of proteolysis targeting chimeras (PROTACs) as an EGFR degrader based on CO-1686.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2mc9402
title: BindingDB Entry 50016075: Structure-based discovery and development of novel O-GlcNAcase inhibitors for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Protein O-GlcNAcase, Uniprot O60502
DOI: 10.7270/q2r49vrf
title: BindingDB Entry 50016074: Discovery, enantioselective synthesis of myrtucommulone E analogues as tyrosyl-DNA phosphodiesterase 2 inhibitors and their biological activities.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 2, Uniprot O95551
DOI: 10.7270/q2vx0mhv
title: BindingDB Entry 50016073: Design, synthesis, and biological evaluation of novel pyrazolo [3,4-d]pyrimidine derivatives as potent PLK4 inhibitors for the treatment of TRIM37-amplified breast cancer.

description: Small molecule binding data for protein Aurora kinase A, Aurora kinase B, Aurora kinase C, Serine/threonine-protein kinase Chk2, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase PLK4, and Vascular endothelial growth factor receptor 2, Uniprot O00444, O14965, O96013, O96017, P35968, Q96GD4, and Q9UQB9
DOI: 10.7270/q20p1410
title: BindingDB Entry 50016072: Inhibition of cytochrome P450 monooxygenase-catalyzed oxylipin formation by flavonoids: Evaluation of structure-activity relationship towards CYP4F2-selective inhibitors.

description: Small molecule binding data for protein Aromatase, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2J2, Cytochrome P450 3A4, Cytochrome P450 4A11, Cytochrome P450 4B1, and Cytochrome P450 4F2, Uniprot P08684, P10635, P11511, P11712, P13584, P51589, P78329, and Q02928
DOI: 10.7270/q24f1vqg
title: BindingDB Entry 50016070: Design, synthesis, and biological evaluation of trizole-based heteroaromatic derivatives as Bcr-Abl kinase inhibitors.

description: Small molecule binding data for protein Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 and Tyrosine-protein kinase ABL1 [T315I]/Breakpoint cluster region protein, Uniprot P00519 and P11274
DOI: 10.7270/q2833x0f
title: BindingDB Entry 50016069: Design and synthesis of new quinoline derivatives as selective C-RAF kinase inhibitors with potent anticancer activity.

description: Small molecule binding data for protein RAF proto-oncogene serine/threonine-protein kinase, Uniprot P04049
DOI: 10.7270/q2cv4np0
title: BindingDB Entry 50016068: Identification, optimization, and biological evaluation of 3-O-β-chacotriosyl ursolic acid derivatives as novel SARS-CoV-2 entry inhibitors by targeting the prefusion state of spike protein.

description: Small molecule binding data for protein Spike glycoprotein, Uniprot P0DTC2
DOI: 10.7270/q2hm5ddq
title: BindingDB Entry 50016067: Development of 4-((3-oxo-3-phenylpropyl)amino)benzenesulfonamide derivatives utilizing tail/dual-tail approaches as novel carbonic anhydrase 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/q2nc655w
title: BindingDB Entry 50016065: Azetidin-2-one-based small molecules as dual hHDAC6/HDAC8 inhibitors: Investigation of their mechanism of action and impact of dual inhibition profile on cell viability.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 6, Histone deacetylase 8, and Polyamine deacetylase HDAC10, Uniprot Q13547, Q969S8, Q9BY41, and Q9UBN7
DOI: 10.7270/q2s46wzq
title: BindingDB Entry 50016064: Discovery of 2-((2-methylbenzyl)thio)-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carbonitrile as a novel and effective bromodomain and extra-terminal (BET) inhibitor for the treatment of sepsis.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2ww7np4
title: BindingDB Entry 50016063: Halogen substituents enhance oxime nucleophilicity for reactivation of cholinesterases inhibited by nerve agents.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q21n853x
title: BindingDB Entry 50016062: Design, synthesis and antitumor evaluation of novel 1H-indole-2-carboxylic acid derivatives targeting 14-3-3η protein.

description: Small molecule binding data for protein 14-3-3 protein eta and Potassium voltage-gated channel subfamily H member 2, Uniprot Q04917 and Q12809
DOI: 10.7270/q25b06gc
title: BindingDB Entry 50016061: Topoisomerase I inhibitors: Challenges, progress and the road ahead.

description: Small molecule binding data for protein DNA topoisomerase 1 and Serine/threonine-protein kinase Chk1, Uniprot O14757 and P11387
DOI: 10.7270/q2930z4t
title: BindingDB Entry 50016059: Design, synthesis and evaluation of the Brigatinib analogues as potent inhibitors against tertiary EGFR mutants (EGFR

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533