cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2vd71ch
title: BindingDB Entry 50047274: Discovery of the ROCK inhibitor netarsudil for the treatment of open-angle glaucoma.

description: Small molecule binding data for protein Rho-associated protein kinase, Uniprot O75116
DOI: 10.7270/q2vh5qgd
title: BindingDB Entry 50045278: Novel 9'-substituted-noscapines: synthesis with Suzuki cross-coupling, structure elucidation and biological evaluation.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1
DOI: 10.7270/q2wh2rs1
title: BindingDB Entry 50046228: Conformationally Restricted GABA with Bicyclo[3.1.0]hexane Backbone as the First Highly Selective BGT-1 Inhibitor.

description: Small molecule binding data for protein Betaine transporter, GABA transporter 1, GABA transporter 2, and GABA transporter 3, Uniprot P30531, P48065, P48066, and Q9NSD5
DOI: 10.7270/q2x35055
title: BindingDB Entry 50045711: Structure-based lead optimization and biological evaluation of BAX direct activators as novel potential anticancer agents.

description: Small molecule binding data for protein Apoptosis regulator BAX, Apoptosis regulator Bcl-2, and Bcl-xL/BAK, Uniprot P10415, Q07812, and Q07817
DOI: 10.7270/q208673w
title: BindingDB Entry 50046235: Benzimidazole-containing HCV NS5A inhibitors: effect of 4-substituted pyrrolidines in balancing genotype 1a and 1b potency.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, and Q12809
DOI: 10.7270/q20v8fgx
title: BindingDB Entry 50045718: Exploitation of the ability of¿-tocopherol to facilitate membrane co-localization of Akt and PHLPP1 to develop PHLPP1-targeted Akt inhibitors.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, AKT/p21CIP1, PH domain leucine-rich repeat-containing protein phosphatase 1, and Serine/threonine-protein kinase ILK-1, Uniprot O15530, O60346, P31749, and Q13418
DOI: 10.7270/q21n82xf
title: BindingDB Entry 50046743: New macrocyclic analogs of the natural histone deacetylase inhibitor FK228; design, synthesis and preliminary biological evaluation.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 8, Uniprot A0A024QZ26, Q13547, Q9BY41, and Q9UBN7
DOI: 10.7270/q22z176v
title: BindingDB Entry 50045284: Discovery of diethyl 2,5-diaminothiophene-3,4-dicarboxylate derivatives as potent anticancer and antimicrobial agents and screening of anti-diabetic activity: synthesis and in vitro biological evaluation. Part 1.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q22z17dj
title: BindingDB Entry 50047280: Potent, Selective, and CNS-Penetrant Tetrasubstituted Cyclopropane Class IIa Histone Deacetylase (HDAC) Inhibitors.

description: Small molecule binding data for protein Histone deacetylase 4, Uniprot P56524
DOI: 10.7270/q2416ztt
title: BindingDB Entry 50046234: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma.

description: Small molecule binding data for protein Tyrosine-protein kinase ABL1 and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00519 and P12931
DOI: 10.7270/q24m966n
title: BindingDB Entry 50045717: Quantum chemistry calculation-aided structural optimization of combretastatin A-4-like tubulin polymerization inhibitors: improved stability and biological activity.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1
DOI: 10.7270/q26q1zwb
title: BindingDB Entry 50045283: Discovery of N-(2-phenyl-1H-benzo[d]imidazol-5-yl)quinolin-4-amine derivatives as novel VEGFR-2 kinase inhibitors.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q27s7qhs
title: BindingDB Entry 50046233: Piperazine derivatives: synthesis, inhibition of the Mycobacterium tuberculosis enoyl-acyl carrier protein reductase and SAR studies.

description: Small molecule binding data for protein Enoyl-ACP Reductase (InhA), Uniprot P9WGR1
DOI: 10.7270/q2bg2qnh
title: BindingDB Entry 50045282: 7-Amino-2-phenylpyrazolo[4,3-d]pyrimidine derivatives: structural investigations at the 5-position to target human A1 and A(2A) adenosine receptors. Molecular modeling and pharmacological studies.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2cj8g7h
title: BindingDB Entry 50046232: Discovery of novel indole derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase.

description: Small molecule binding data for protein Fructose-1,6-bisphosphatase 1 (FBPase), Uniprot P09467
DOI: 10.7270/q2d50pnv
title: BindingDB Entry 50045715: A binding mode hypothesis of tiagabine confirms liothyronine effect on¿-aminobutyric acid transporter 1 (GAT1).

description: Small molecule binding data for protein GABA transporter 1, Uniprot P23978
DOI: 10.7270/q2g73gdp
title: BindingDB Entry 50045281: Synthesis and pharmacological evaluation of 5-pyrrolidinylquinoxalines as a novel class of peripherally restricted¿-opioid receptor agonists.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Sigma-1 receptor, and mu/kappa opioid receptor, Uniprot P35372, P41143, P41144, P41145, and Q60492
DOI: 10.7270/q2jw8gr7
title: BindingDB Entry 50047284: Discovery of a New Inhibitor of Myeloid Differentiation 2 from Cinnamamide Derivatives with Anti-Inflammatory Activity in Sepsis and Acute Lung Injury.

description: Small molecule binding data for protein Lymphocyte antigen 96, Uniprot Q9Y6Y9
DOI: 10.7270/q2m0474d
title: BindingDB Entry 50045280: Design and synthesis of new benzimidazole-carbazole conjugates for the stabilization of human telomeric DNA, telomerase inhibition, and their selective action on cancer cells.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2ng4sgn
title: BindingDB Entry 50046746: Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor.

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot Q9Y233
DOI: 10.7270/q2pn97hd
title: BindingDB Entry 50047283: Discovery of a Potent Free Fatty Acid 1 Receptor Agonist with Low Lipophilicity, Low Polar Surface Area, and Robust in Vivo Efficacy.

description: Small molecule binding data for protein Free fatty acid receptor 1 and Free fatty acid receptor 4, Uniprot O14842 and Q5NUL3
DOI: 10.7270/q2qv3p8r
title: BindingDB Entry 50046237: Discovery of indole-derived pyridopyrazine-1,6-dione¿-secretase modulators that target presenilin.

description: Small molecule binding data for protein Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2, Uniprot P49768, P49810, Q8WW43, Q92542, Q96BI3, and Q9NZ42
DOI: 10.7270/q2s75j4g
title: BindingDB Entry 50046745: Muscarinic acetylcholine receptor binding affinities of pethidine analogs.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, and Muscarinic acetylcholine receptor M1/M5 chimeric protein, Uniprot P08912, P11229, and P20309
DOI: 10.7270/q2tf007p
title: BindingDB Entry 50047282: Novel 2,4-diaminopyrimidines bearing tetrahydronaphthalenyl moiety against anaplastic lymphoma kinase (ALK): Synthesis, in vitro, ex vivo, and in vivo efficacy studies.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and ALK tyrosine kinase receptor, Uniprot P40989 and Q9UM73
DOI: 10.7270/q2vm4f0g
title: BindingDB Entry 50046236: Development of novel Asf1-H3/H4 inhibitors.

description: Small molecule binding data for protein Histone chaperone ASF1A, Uniprot Q9Y294
DOI: 10.7270/q2w37z1d
title: BindingDB Entry 50045719: Discovery of a series of efficient, centrally efficacious BACE1 inhibitors through structure-based drug design.

description: Small molecule binding data for protein Beta-secretase 1, Cathepsin D, and Cytochrome P450 2D6 (2D6), Uniprot P07339, P10635, and P56817
DOI: 10.7270/q2ww7kh2
title: BindingDB Entry 50046744: Design, synthesis and biological activity of phenoxyacetic acid derivatives as novel free fatty acid receptor 1 agonists.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2z60qzm
title: BindingDB Entry 50047281: Design and Synthesis of Nonpeptide Inhibitors of Hepatocyte Growth Factor Activation.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Hepatocyte growth factor activator, Hepsin, Matriptase, Prothrombin, and Trypsin, Uniprot P00734, P00742, P05981, P07477, P07478, P35030, Q04756, and Q9Y5Y6
DOI: 10.7270/q20p11vh
title: BindingDB Entry 50046751: Structure-activity relationships of amide-phosphonate derivatives as inhibitors of the human soluble epoxide hydrolase.

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q21z469m
title: BindingDB Entry 50047288: Identification of a 5-[3-phenyl-(2-cyclic-ether)-methylether]-4-aminopyrrolo[2,3-d]pyrimidine series of IGF-1R inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Ephrin receptor, Epidermal growth factor receptor, Insulin receptor, Insulin-like growth factor I receptor, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, PI3-kinase subunit alpha, PI3-kinase subunit beta, SRC, Tyrosine-protein kinase JAK1, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P06213, P06239, P07949, P08069, P23458, P35968, P40989, P42336, P42338, P54760, and Q541P7
DOI: 10.7270/q2348n4m
title: BindingDB Entry 50046242: Anion inhibition study of theß-class carbonic anhydrase (PgiCAb) from the oral pathogen Porphyromonas gingivalis.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q23n2538
title: BindingDB Entry 50045725: Fused heterocycles bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 4: design, synthesis and biological evaluation of novel imidazo[1,2-a]pyrazines.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q24f1sjd
title: BindingDB Entry 50046750: A Novel Pyrazolopyridine with in Vivo Activity in Plasmodium berghei- and Plasmodium falciparum-Infected Mouse Models from Structure-Activity Relationship Studies around the Core of Recently Identified Antimalarial Imidazopyridazines.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q25q4xzn
title: BindingDB Entry 50047287: Synthesis and biological evaluation of novel 6,7-dihydro-5H-cyclopenta[d]pyrimidine and 5,6,7,8-tetrahydroquinazoline derivatives as sigma-1 (s1) receptor antagonists for the treatment of pain.

description: Small molecule binding data for protein Sigma-1 receptor, Uniprot Q60492
DOI: 10.7270/q26t0pdd
title: BindingDB Entry 50046241: Synthesis and analgesic activity of alkylated, reduced and constrained oligoheterocyclic peptidomimetic analogs of Leu-enkephalin.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and mu/kappa opioid receptor, Uniprot P33535 and P41144
DOI: 10.7270/q27d2wt6
title: BindingDB Entry 50045724: Novel 1-(2-aryl-2-adamantyl)piperazine derivatives with antiproliferative activity.

description: Small molecule binding data for protein Sigma, Uniprot Q99720
DOI: 10.7270/q2862j84
title: BindingDB Entry 50046749: New natural product carbonic anhydrase inhibitors incorporating phenol moieties.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 4, and Carbonic anhydrase 7, Uniprot O43570, P00915, P00918, P22748, and P43166
DOI: 10.7270/q29c70bb
title: BindingDB Entry 50047286: Pterostilbene-O-acetamidoalkylbenzylamines derivatives as novel dual inhibitors of cholinesterase with anti-ß-amyloid aggregation and antioxidant properties for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q29g5pf7
title: BindingDB Entry 50045290: A potent cyclic peptide targeting SPSB2 protein as a potential anti-infective agent.

description: Small molecule binding data for protein SPRY domain-containing SOCS box protein 2, Uniprot Q99619
DOI: 10.7270/q2bk1f3p
title: BindingDB Entry 50046240: Evaluation of inhibition selectivity for human cytochrome P450 2A enzymes.

description: Small molecule binding data for protein Cytochrome P450 2A13 and Cytochrome P450 2A6, Uniprot P11509 and Q16696
DOI: 10.7270/q2c53njx
title: BindingDB Entry 50045723: Identification of the molecular basis of inhibitor selectivity between the human and streptococcal type I methionine aminopeptidases.

description: Small molecule binding data for protein Methionine Aminopeptidase Type 1 (MetAP1), Uniprot P53582
DOI: 10.7270/q2cz390j
title: BindingDB Entry 50046748: Macrocyclic prolinyl acyl guanidines as inhibitors ofß-secretase (BACE).

description: Small molecule binding data for protein Beta-secretase 1 and Voltage-gated potassium channel, Uniprot P56817 and Q12809
DOI: 10.7270/q2f47r17
title: BindingDB Entry 50047285: Optimization of a Novel Quinazolinone-Based Series of Transient Receptor Potential A1 (TRPA1) Antagonists Demonstrating Potent in Vivo Activity.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Transient receptor potential cation channel subfamily A member 1, Transient receptor potential cation channel subfamily V member 1, and Transient receptor potential cation channel subfamily V member 3, Uniprot O75762, P08684, P10635, Q6RI86, Q8NER1, and Q8NET8
DOI: 10.7270/q2f76f6d
title: BindingDB Entry 50045289: Synthesis and structure-activity relationships of pteridine dione and trione monocarboxylate transporter 1 inhibitors.

description: Small molecule binding data for protein Monocarboxylate transporter 1, Uniprot P53985
DOI: 10.7270/q2gb25sj
title: BindingDB Entry 50046239: Piperidine-3,4-diol and piperidine-3-ol derivatives of pyrrolo[2,1-f][1,2,4]triazine as inhibitors of anaplastic lymphoma kinase.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, Q12809, and Q9UM73
DOI: 10.7270/q2gx4d8b
title: BindingDB Entry 50045722: 5'-C-Ethyl-tetrazolyl-N(6)-substituted adenosine and 2-chloro-adenosine derivatives as highly potent dual acting A1 adenosine receptor agonists and A3 adenosine receptor antagonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2hq41r9
title: BindingDB Entry 50046747: Discovery of a Novel, Potent Spirocyclic Series of¿-Secretase Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2, Uniprot P08684, P10635, P11712, P49768, P49810, Q8WW43, Q92542, Q96BI3, and Q9NZ42
DOI: 10.7270/q2k075xq
title: BindingDB Entry 50045288: UNC2025, a potent and orally bioavailable MER/FLT3 dual inhibitor.

description: Small molecule binding data for protein AXL receptor tyrosine kinase, Hepatocyte growth factor receptor, MER intracellular domain/EGFR extracellular domain chimera, NT-3 growth factor receptor, NUAK family SNF1-like kinase 1, Neurotrophic tyrosine kinase receptor, Salt-inducible kinase 2 (SIK2), Serine/threonine-protein kinase 2, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, and Tyrosine-protein kinase receptor TYRO3, Uniprot O60285, P04629, P08581, P10721, P30530, P36888, Q06418, Q12866, Q16288, Q9H0K1, and Q9H2G2
DOI: 10.7270/q2m32xhw
title: BindingDB Entry 50046238: Naturally occurring polyphenol, morin hydrate, inhibits enzymatic activity of N-methylpurine DNA glycosylase, a DNA repair enzyme with various roles in human disease.

description: Small molecule binding data for protein DNA-3-methyladenine glycosylase, Uniprot P29372
DOI: 10.7270/q2mp5502
title: BindingDB Entry 50045721: Discovery of potent and selective 8-fluorotriazolopyridine c-Met inhibitors.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q2pr7xnr
title: BindingDB Entry 50045287: In silico and pharmacological screenings identify novel serine racemase inhibitors.

description: Small molecule binding data for protein Serine racemase, Uniprot Q9GZT4
DOI: 10.7270/q2rf5wq0
title: BindingDB Entry 50045720: The discovery of macrocyclic XIAP antagonists from a DNA-programmed chemistry library, and their optimization to give lead compounds with in vivo antitumor activity.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2 and Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3), Uniprot Q13489 and Q13490
DOI: 10.7270/q2th8pcg
title: BindingDB Entry 50045286: Structure-affinity relationships and pharmacological characterization of new alkyl-resorcinol cannabinoid receptor ligands: Identification of a dual cannabinoid receptor/TRPA1 channel agonist.

description: Small molecule binding data for protein Anandamide amidohydrolase, Cannabinoid receptor 1, Cannabinoid receptor 2, Transient receptor potential cation channel subfamily A member 1, and Transient receptor potential cation channel subfamily V member 1, Uniprot P21554, P34972, P97612, Q6RI86, and Q8NER1
DOI: 10.7270/q2x63pt7
title: BindingDB Entry 50047290: Chiral Dihydrobenzofuran Acids Show Potent Retinoid X Receptor-Nuclear Receptor Related 1 Protein Dimer Activation.

description: Small molecule binding data for protein Retinoic acid receptor alpha/Retinoid X receptor alpha, Uniprot P19793
DOI: 10.7270/q2z89f2r
title: BindingDB Entry 50045285: The identification of 7-[(R)-2-((1S,2S)-2-benzyloxycyclopentylamino)-1-hydroxyethyl]-4-hydroxybenzothiazolone as an inhaled long-actingß2-adrenoceptor agonist.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P07550, P08588, P14416, P35462, and Q8K4Z4
DOI: 10.7270/q20003s5
title: BindingDB Entry 50045726: Novel pyridyl substituted 4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolines as potent and selective aldosterone synthase inhibitors with improved in vitro metabolic stability.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 11B2, Cytochrome P450 17A1, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P05093, P05177, P08684, P10635, P11511, P11712, P15538, P19099, and P33261
DOI: 10.7270/q2222wf8
title: BindingDB Entry 50045292: Further evaluation of the tropane analogs of haloperidol.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, Dopamine D1 and D2 receptor, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P08908, P08909, P14416, P21728, P21918, P23975, P28223, P30729, P31645, P34969, P35367, P35462, P41595, and Q01959
DOI: 10.7270/q25q4xrz
title: BindingDB Entry 50045291: Evaluation of class I HDAC isoform selectivity of largazole analogues.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3/NCoR1, and Histone deacetylase 8, Uniprot O15379, Q13547, Q92769, and Q9BY41
DOI: 10.7270/q25x2bpb
title: BindingDB Entry 50046249: Scaffold hopping towards potent and selective JAK3 inhibitors: discovery of novel C-5 substituted pyrrolopyrazines.

description: Small molecule binding data for protein JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P23458, and P52333
DOI: 10.7270/q2765h56
title: BindingDB Entry 50046757: Synthesis of novel benzohydrazone-oxadiazole hybrids asß-glucuronidase inhibitors and molecular modeling studies.

description: Small molecule binding data for protein Beta-glucuronidase (β-glucuronidase)
DOI: 10.7270/q28g8nkf
title: BindingDB Entry 50047295: Synthesis and biology of ring-modified l-Histidine containing thyrotropin-releasing hormone (TRH) analogues.

description: Small molecule binding data for protein Thyrotropin-releasing hormone receptor and Thyrotropin-releasing hormone receptor 2, Uniprot P21761
DOI: 10.7270/q2b56mf0
title: BindingDB Entry 50045731: Design and synthesis of orally bioavailable aminopyrrolidinone histone deacetylase 6 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 8, Uniprot A0A024QZ26, P05177, P08684, P10635, P11712, P33261, Q13547, Q9BY41, and Q9UBN7
DOI: 10.7270/q2d50pvj
title: BindingDB Entry 50047294: Design, synthesis and biological evaluation of 5-amino-4-(1H-benzoimidazol-2-yl)-phenyl-1,2-dihydro-pyrrol-3-ones as inhibitors of protein kinase FGFR1.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Uniprot P11362
DOI: 10.7270/q2fx7c5d
title: BindingDB Entry 50045730: Synthesis, biological investigation and molecular docking study of N-malonyl-1,2-dihydroisoquinoline derivatives as brain specific and shelf-stable MAO inhibitors.

description: Small molecule binding data for protein Monoamine oxidase, Uniprot P21398 and P56560
DOI: 10.7270/q2gq70kg
title: BindingDB Entry 50046755: Catecholic amides as potential selective phosphodiesterase 4D inhibitors: Design, synthesis, pharmacological evaluation and structure-activity relationships.

description: Small molecule binding data for protein Phosphodiesterase 11A (PDE11A), Phosphodiesterase 1A (PDE1A), Phosphodiesterase 4, Phosphodiesterase 6C (PDE6C), Phosphodiesterase 7, Phosphodiesterase 8, Phosphodiesterase 9A, 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 B, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O60658, O76074, O76083, P27815, P51160, P54750, Q07343, Q08493, Q08499, Q13370, Q13946, Q9HCR9, and Q9Y233
DOI: 10.7270/q2hx1fjh
title: BindingDB Entry 50047293: Structure-based design of N-substituted 1-hydroxy-4-sulfamoyl-2-naphthoates as selective inhibitors of the Mcl-1 oncoprotein.

description: Small molecule binding data for protein Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07820