cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2df6w9w
title: BindingDB Entry 50017662: Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis.

description: Small molecule binding data for protein Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, Potassium voltage-gated channel subfamily H member 2, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, cGMP-dependent 3',5'-cyclic phosphodiesterase, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O60658, O76074, O76083, Q01064, Q07343, Q08499, Q12809, Q13946, Q14432, and Q9Y233
DOI: 10.7270/q2j67n1m
title: BindingDB Entry 50017661: CLIPSing Melanotan-II to Discover Multiple Functionally Selective hMCR Agonists.

description: Small molecule binding data for protein Melanocortin receptor 3, Melanocortin receptor 4, Melanocortin receptor 5, and Melanocyte-stimulating hormone receptor, Uniprot P32245, P33032, P41968, and Q01726
DOI: 10.7270/q2nz8cq5
title: BindingDB Entry 50017660: Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against

description: Small molecule binding data for protein Cruzipain, Uniprot P25779
DOI: 10.7270/q2sn0f2k
title: BindingDB Entry 50017658: Discovery of a potent and highly selective inhibitor of ataxia telangiectasia mutated and Rad3-Related (ATR) kinase: Structural activity relationship and antitumor activity both in vitro and in vivo.

description: Small molecule binding data for protein Serine/threonine-protein kinase ATR and Serine/threonine-protein kinase B-raf, Uniprot P15056 and Q13535
DOI: 10.7270/q2xd15rf
title: BindingDB Entry 50017656: Discovery of novel 3-butyl-6-benzyloxyphthalide Mannich base derivatives as multifunctional agents against Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Amine oxidase [flavin-containing] B, Uniprot O42275, P22303, and P27338
DOI: 10.7270/q2251p7r
title: BindingDB Entry 50017653: Discovery of new carbonic anhydrase IX inhibitors as anticancer agents by toning the hydrophobic and hydrophilic rims of the active site to encounter the dual-tail approach.

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/q25x2f0m
title: BindingDB Entry 50017651: Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.

description: Small molecule binding data for protein Hypoxanthine-guanine phosphoribosyltransferase, Uniprot P00492
DOI: 10.7270/q29p35qx
title: BindingDB Entry 50017650: Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.

description: Small molecule binding data for protein AP2-associated protein kinase 1, BMP-2-inducible protein kinase, Cyclin-G-associated kinase, Glycogen synthase kinase-3 beta, MAP kinase-interacting serine/threonine-protein kinase 1, Serine/threonine-protein kinase 16, Serine/threonine-protein kinase Chk1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O14757, O14976, O60674, O75716, P23458, P49841, Q2M2I8, Q9BUB5, and Q9NSY1
DOI: 10.7270/q2ff3xf8
title: BindingDB Entry 50017646: Novel Aurora A and Protein Kinase C (α, β1, β2, and θ) Multitarget Inhibitors: Impact of Selenium Atoms on the Potency and Selectivity.

description: Small molecule binding data for protein Aurora kinase A, Aurora kinase B, Aurora kinase C, Protein kinase C alpha type, Protein kinase C beta type, Protein kinase C delta type, Protein kinase C epsilon type, Protein kinase C eta type, Protein kinase C theta type, Serine/threonine-protein kinase D3, and cAMP-dependent protein kinase catalytic subunit gamma, Uniprot O14965, O94806, P05771, P17252, P22612, P24723, Q02156, Q04759, Q05655, Q96GD4, and Q9UQB9
DOI: 10.7270/q2k64p4j
title: BindingDB Entry 50017644: Structure-activity relationships of N-terminal variants of peptidomimetic tissue transglutaminase inhibitors.

description: Small molecule binding data for protein Protein-glutamine gamma-glutamyltransferase 2, Uniprot P21980
DOI: 10.7270/q2pv6qgp
title: BindingDB Entry 50017643: Interaction of A

description: Small molecule binding data for protein Adenosine receptor A3, Broad substrate specificity ATP-binding cassette transporter ABCG2, and Kappa-type opioid receptor, Uniprot P0DMS8, P41145, Q61618, and Q9UNQ0
DOI: 10.7270/q2tm7g6d
title: BindingDB Entry 50017642: Novel potent benzimidazole-based microsomal prostaglandin E

description: Small molecule binding data for protein Leukotriene C4 synthase, Polyunsaturated fatty acid 5-lipoxygenase, and Prostaglandin E synthase, Uniprot O14684, P09917, and Q16873
DOI: 10.7270/q2zc86z5
title: BindingDB Entry 50017641: Discovery of indol-6-yl-pyrrolo[2,3-c]pyridin-7-one derivatives as bromodomain-containing protein 4 (BRD4) inhibitors for the treatment of kidney fibrosis.

description: Small molecule binding data for protein Bromodomain and PHD finger-containing protein 3, Bromodomain testis-specific protein, Bromodomain-containing protein 1, Bromodomain-containing protein 2, Bromodomain-containing protein 3, and Bromodomain-containing protein 4, Uniprot O60885, O95696, P25440, Q15059, Q58F21, and Q9ULD4
DOI: 10.7270/q2348qgx
title: BindingDB Entry 50017640: Synthetic methodology-enabled discovery of a tunable indole template for COX-1 inhibition and anti-cancer activity.

description: Small molecule binding data for protein Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2, Uniprot P05979 and P35354
DOI: 10.7270/q26w9g5w
title: BindingDB Entry 50017638: A fragment integrational approach to GPCR inhibition: Identification of a high affinity small molecule CXCR4 antagonist.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4, Uniprot P61073
DOI: 10.7270/q2bp06wr
title: BindingDB Entry 50017637: Identification of triazolopyridine derivatives as a new class of AhR agonists and evaluation of anti-psoriasis effect in a mouse model.

description: Small molecule binding data for protein Aryl hydrocarbon receptor, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 3A4, and Potassium voltage-gated channel subfamily H member 2, Uniprot P08684, P11712, P33261, P35869, and Q12809
DOI: 10.7270/q2gf0zkn
title: BindingDB Entry 50017634: SAR evolution towards potent C-terminal carboxamide peptide inhibitors of Zika virus NS2B-NS3 protease.

description: Small molecule binding data for protein Genome polyprotein and Trypsin, Uniprot P07477, P07478, P29990, and P35030
DOI: 10.7270/q2m330vk
title: BindingDB Entry 50017632: Cathepsin D inhibitors based on tasiamide B derivatives with cell membrane permeability.

description: Small molecule binding data for protein Beta-secretase 1, Cathepsin D, and Cathepsin E, Uniprot P07339, P14091, and P56817
DOI: 10.7270/q2qv3rkm
title: BindingDB Entry 50017631: Discovery of HDAC6-Selective Inhibitor NN-390 with

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, and Polyamine deacetylase HDAC10, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2vm4hbs
title: BindingDB Entry 50017627: In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease.

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q20c50vh
title: BindingDB Entry 50017626: Probing Embryonic Development Enables the Discovery of Unique Small-Molecule Bone Morphogenetic Protein Potentiators.

description: Small molecule binding data for protein Activin receptor type-1 and Glycogen synthase kinase-3 beta, Uniprot P49841 and Q04771
DOI: 10.7270/q2445rkv
title: BindingDB Entry 50017625: Synthesis, biological evaluation, and molecular modeling simulations of new heterocyclic hybrids as multi-targeted anti-Alzheimer's agents.

description: Small molecule binding data for protein Acetylcholinesterase, Amyloid-beta precursor protein, and Cholinesterase, Uniprot P05067, P06276, and P22303
DOI: 10.7270/q27w6h98
title: BindingDB Entry 50017622: Identification of thiophene-benzenesulfonamide derivatives for the treatment of multidrug-resistant tuberculosis.

description: Small molecule binding data for protein Decaprenylphosphoryl-beta-D-ribose oxidase and Potassium voltage-gated channel subfamily H member 2, Uniprot P9WJF1 and Q12809
DOI: 10.7270/q2cn780j
title: BindingDB Entry 50017621: Neuropeptide B/W receptor 1 peptidomimetic agonists: Structure-activity relationships and plasma stability.

description: Small molecule binding data for protein Neuropeptides B/W receptor type 1, Uniprot P48145
DOI: 10.7270/q2h99983
title: BindingDB Entry 50017619: Phenolic Lipids Derived from Cashew Nut Shell Liquid to Treat Metabolic Diseases.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor delta, and Peroxisome proliferator-activated receptor gamma, Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q2n3020c
title: BindingDB Entry 50017616: Discovery of Novel Bicyclic Imidazolopyridine-Containing Human Urate Transporter 1 Inhibitors as Hypouricemic Drug Candidates with Improved Efficacy and Favorable Druggability.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Solute carrier family 22 member 12, Uniprot P05177, P08684, P10635, P11712, P33261, and Q96S37
DOI: 10.7270/q2rv0ssw
title: BindingDB Entry 50017615: Illuminating a Dark Kinase: Structure-Guided Design, Synthesis, and Evaluation of a Potent Nek1 Inhibitor and Its Effects on the Embryonic Zebrafish Pronephros.

description: Small molecule binding data for protein Serine/threonine-protein kinase Nek1, Uniprot Q96PY6
DOI: 10.7270/q2wm1jhm
title: BindingDB Entry 50017614: Discovery of Novel Sphingosine-1-Phosphate-1 Receptor Agonists for the Treatment of Multiple Sclerosis.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor 1 and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q21c21zf
title: BindingDB Entry 50017610: Synthesis of tropane-based σ

description: Small molecule binding data for protein Sigma intracellular receptor 2 and Sigma non-opioid intracellular receptor 1, Uniprot Q5U3Y7 and Q60492
DOI: 10.7270/q2542sps
title: BindingDB Entry 50017606: Synthesis and biological evaluation of novel hybrids of phenylsulfonyl furoxan and phenstatin derivatives as potent anti-tumor agents.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q28w3jcr
title: BindingDB Entry 50017604: Discovery and mechanistic study of thiazole-4-acylsulfonamide derivatives as potent and orally active ChemR23 inhibitors with a long-acting effect in cynomolgus monkeys.

description: Small molecule binding data for protein Chemerin-like receptor 1, Uniprot Q99788
DOI: 10.7270/q2dj5kq6
title: BindingDB Entry 50017603: Design, synthesis, and biological evaluation of novel dual FFA1 and PPARδ agonists possessing phenoxyacetic acid scaffold.

description: Small molecule binding data for protein Free fatty acid receptor 1, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor delta, and Peroxisome proliferator-activated receptor gamma, Uniprot O14842, P37231, Q03181, and Q07869
DOI: 10.7270/q2j96bfx
title: BindingDB Entry 50017602: Improved cyclobutyl nabilone analogs as potent CB1 receptor agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1, Uniprot P20272 and P21554
DOI: 10.7270/q2p27363
title: BindingDB Entry 50017601: Synthesis and biological evaluation of aminobenzamides containing purine moiety as class I histone deacetylases inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 4, Histone deacetylase 6, and Histone deacetylase 8, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q2st7txq
title: BindingDB Entry 50017598: Discovery of Gut-Restricted Small-Molecule Inhibitors of Intestinal Sodium-Dependent Phosphate Transport Protein 2b (NaPi2b) for the Treatment of Hyperphosphatemia.

description: Small molecule binding data for protein Sodium-dependent phosphate transport protein 2B, Uniprot O95436
DOI: 10.7270/q2xk8knf
title: BindingDB Entry 50017597: Synthesis of 8-aminomorphans with high KOR affinity.

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 P33533, P41144, P97266, Q5U3Y7, and Q60492
DOI: 10.7270/q22b9344
title: BindingDB Entry 50017596: Novel PHD2/HDACs hybrid inhibitors protect against cisplatin-induced acute kidney injury.

description: Small molecule binding data for protein Egl nine homolog 1, Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 4, and Histone deacetylase 6, Uniprot P56524, Q13547, Q92769, Q9GZT9, and Q9UBN7
DOI: 10.7270/q2639ttm
title: BindingDB Entry 50017595: Efficient targeted oncogenic KRAS

description: Small molecule binding data for protein GTPase KRas, Uniprot P01116
DOI: 10.7270/q29s1w48
title: BindingDB Entry 50017594: Design, synthesis and biological evaluation of P2-modified proline analogues targeting the HtrA serine protease in Chlamydia.

description: Small molecule binding data for protein Neutrophil elastase and Probable periplasmic serine endoprotease DegP-like, Uniprot P08246 and P18584
DOI: 10.7270/q2fj2mvk
title: BindingDB Entry 50017591: -Methylpropargylamine-Conjugated Hydroxamic Acids as Dual Inhibitors of Monoamine Oxidase A and Histone Deacetylase for Glioma Treatment.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 6, Histone deacetylase 8, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q2k93cmr
title: BindingDB Entry 50017590: Synthesis of novel thiazolyl hydrazone derivatives as potent dual monoamine oxidase-aromatase inhibitors.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Aromatase, Uniprot P11511, P21397, and P27338
DOI: 10.7270/q2q244bg
title: BindingDB Entry 50017589: Discovery of novel verinurad analogs as dual inhibitors of URAT1 and GLUT9 with improved Druggability for the treatment of hyperuricemia.

description: Small molecule binding data for protein Broad substrate specificity ATP-binding cassette transporter ABCG2, Solute carrier family 2, facilitated glucose transporter member 9, Solute carrier family 22 member 12, and Solute carrier family 22 member 6, Uniprot Q4U2R8, Q96S37, Q9NRM0, and Q9UNQ0
DOI: 10.7270/q2tt4w12
title: BindingDB Entry 50017588: Discovery of a tricyclic farnesoid X receptor agonist HEC96719, a clinical candidate for treatment of non-alcoholic steatohepatitis.

description: Small molecule binding data for protein Bile acid receptor, Estrogen receptor, Estrogen receptor beta, G-protein coupled bile acid receptor 1, Nuclear receptor subfamily 1 group I member 2, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, and Potassium voltage-gated channel subfamily H member 2, Uniprot O75469, P03372, P37231, Q03181, Q07869, Q12809, Q8TDU6, Q92731, and Q96RI1
DOI: 10.7270/q2zk5mrc
title: BindingDB Entry 50017586: Discovery of novel β-carboline derivatives as selective AChE inhibitors with GSK-3β inhibitory property for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, and Glycogen synthase kinase-3 beta, Uniprot O42275, P49841, and P81908
DOI: 10.7270/q23b646m
title: BindingDB Entry 50017585: Design, Synthesis, and Characterization of I-BET567, a Pan-Bromodomain and Extra Terminal (BET) Bromodomain Oral Candidate.

description: Small molecule binding data for protein Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, C-C motif chemokine 2, CREB-binding protein, Cytochrome P450 3A4, Histone acetyltransferase p300, and Potassium voltage-gated channel subfamily H member 2, Uniprot O60885, P08684, P13500, P25440, Q09472, Q12809, Q15059, Q58F21, and Q92793
DOI: 10.7270/q27085hm
title: BindingDB Entry 50017584: Intramolecular hydrogen bond interruption and scaffold hopping of TMC-5 led to 2-(4-alkoxy-3-cyanophenyl)pyrimidine-4/5-carboxylic acids and 6-(4-alkoxy-3-cyanophenyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-ones as potent pyrimidine-based xanthine oxidase inhibitors.

description: Small molecule binding data for protein Xanthine dehydrogenase/oxidase, Uniprot P47989
DOI: 10.7270/q2br8x7n
title: BindingDB Entry 50017581: Discovery of G2019S-Selective Leucine Rich Repeat Protein Kinase 2 inhibitors with in vivo efficacy.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2, Uniprot Q5S007
DOI: 10.7270/q2gh9p18
title: BindingDB Entry 50017576: Discovery of 3,4-Dihydrobenzo[

description: Small molecule binding data for protein Aurora kinase A, Hexokinase-4, Mitogen-activated protein kinase kinase kinase 11, Serine/threonine-protein kinase 17A, TRAF2 and NCK-interacting protein kinase, Vascular endothelial growth factor receptor 1, and Vascular endothelial growth factor receptor 3, Uniprot O14965, P17948, P35557, P35916, Q16584, Q9UEE5, and Q9UKE5
DOI: 10.7270/q2m90dr4
title: BindingDB Entry 50017575: Multitarget Hybrid Fasudil Derivatives as a New Approach to the Potential Treatment of Amyotrophic Lateral Sclerosis.

description: Small molecule binding data for protein Rho-associated protein kinase 2, Uniprot O75116
DOI: 10.7270/q2r215gv
title: BindingDB Entry 50017573: TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.

description: Small molecule binding data for protein Tau-tubulin kinase 1 and Tau-tubulin kinase 2, Uniprot Q5TCY1 and Q6IQ55
DOI: 10.7270/q2vt1x5f
title: BindingDB Entry 50017570: Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.

description: Small molecule binding data for protein Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, Bromodomain-containing protein 9, and CREB-binding protein, Uniprot O60885, P25440, Q15059, Q58F21, Q92793, and Q9H8M2
DOI: 10.7270/q20k2dm8
title: BindingDB Entry 50017568: ARN25068, a versatile starting point towards triple GSK-3β/FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.

description: Small molecule binding data for protein Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Glycogen synthase kinase-3 beta, and Tyrosine-protein kinase Fyn, Uniprot P06241, P49841, and Q13627
DOI: 10.7270/q2474fzq
title: BindingDB Entry 50017566: Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding.

description: Small molecule binding data for protein Nuclear receptor subfamily 1 group I member 2 and Serine/threonine-protein kinase B-raf, Uniprot O75469 and P15056
DOI: 10.7270/q28056pf
title: BindingDB Entry 50017565: Design and synthesis of HDAC inhibitors to enhance the therapeutic effect of diffuse large B-cell lymphoma by improving metabolic stability and pharmacokinetic characteristics.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3, and Histone deacetylase 8, Uniprot O15379, Q13547, Q92769, and Q9BY41
DOI: 10.7270/q2cr5zfx
title: BindingDB Entry 50017557: Discovery of new and highly effective quadruple FFA1 and PPARα/γ/δ agonists as potential anti-fatty liver agents.

description: Small molecule binding data for protein Free fatty acid receptor 1, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor delta, and Peroxisome proliferator-activated receptor gamma, Uniprot O14842, P37231, Q03181, and Q07869
DOI: 10.7270/q2hh6q5n
title: BindingDB Entry 50017556: Discovery of selective irreversible inhibitors of B-Lymphoid tyrosine kinase (BLK).

description: Small molecule binding data for protein Tyrosine-protein kinase BTK and Tyrosine-protein kinase Blk, Uniprot P51451 and Q06187
DOI: 10.7270/q2n87fwz
title: BindingDB Entry 50017554: Modulating physicochemical properties of tetrahydropyridine-2-amine BACE1 inhibitors with electron-withdrawing groups: A systematic study.

description: Small molecule binding data for protein Beta-secretase 1 and Potassium voltage-gated channel subfamily H member 2, Uniprot P56817 and Q12809
DOI: 10.7270/q2s186k7
title: BindingDB Entry 50017552: Discovery of 9,10-dihydrophenanthrene derivatives as SARS-CoV-2 3CL

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q2ws8z98
title: BindingDB Entry 50017551: Design, synthesis, biochemical evaluation, radiolabeling and in vivo imaging with high affinity class-IIa histone deacetylase inhibitor for molecular imaging and targeted therapy.

description: Small molecule binding data for protein Histone deacetylase 1/2/3/8, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, and Polyamine deacetylase HDAC10, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q21g0rbb
title: BindingDB Entry 50017548: Imidazolylacetophenone oxime-based multifunctional neuroprotective agents: Discovery and structure-activity relationships.

description: Small molecule binding data for protein Acetylcholinesterase and Cytochrome c oxidase subunit 2, Uniprot O42275 and P00403
DOI: 10.7270/q2571h22
title: BindingDB Entry 50017547: Discovery of BP3 as an efficacious proteolysis targeting chimera (PROTAC) degrader of HSP90 for treating breast cancer.

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha/90-beta, Uniprot P07900 and P08238
DOI: 10.7270/q29027v8
title: BindingDB Entry 50017546: A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A3, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Potassium voltage-gated channel subfamily H member 2, Uniprot P05177, P08684, P0DMS8, P10635, P11712, P29274, P30542, P33261, Q12809, Q60612, and Q61618
DOI: 10.7270/q2dr30kp
title: BindingDB Entry 50017545: Discovery of quinazoline derivatives as novel small-molecule inhibitors targeting the programmed cell death-1/programmed cell death-ligand 1 (PD-1/PD-L1) interaction.

description: Small molecule binding data for protein Programmed cell death 1 ligand/protein 1, Uniprot Q15116 and Q9NZQ7