cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q26w9cvm
title: BindingDB Entry 50046432: Pyrrolopyridine or Pyrazolopyridine Derivatives.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P08482 and P11229
DOI: 10.7270/q29w0hfd
title: BindingDB Entry 50047970: Targeting prostate cancer with compounds possessing dual activity as androgen receptor antagonists and HDAC6 inhibitors.

description: Small molecule binding data for protein Androgen Receptor, Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 3/NCoR1, Uniprot A0A024QZ26, O15379, P10275, Q13547, Q92769, and Q9UBN7
DOI: 10.7270/q2b27x41
title: BindingDB Entry 50046942: Recent Update on Human Lactate Dehydrogenase Enzyme 5 (hLDH5) Inhibitors: A Promising Approach for Cancer Chemotherapy.

description: Small molecule binding data for protein Lactate dehydrogenase A (LDHA) and Lactate dehydrogenase B (LDHB), Uniprot P00338 and P07195
DOI: 10.7270/q2f191fn
title: BindingDB Entry 50045916: Metabolism and disposition of [14C]brivanib alaninate after oral administration to rats, monkeys, and humans.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1 and Vascular endothelial growth factor receptor 2, Uniprot P11362 and P35968
DOI: 10.7270/q2ft8nwg
title: BindingDB Entry 50046941: Functionalized imidazolium and benzimidazolium salts as paraoxonase 1 inhibitors: Synthesis, characterization and molecular docking studies.

description: Small molecule binding data for protein Serum paraoxonase/arylesterase 1, Uniprot P27169
DOI: 10.7270/q2js9s5p
title: BindingDB Entry 50045915: Identification of clinically used drugs that activate pregnane X receptors.

description: Small molecule binding data for protein Nuclear receptor subfamily 1 group I member 2 and Pregnane X receptor (PXR), Uniprot O75469 and Q9R1A7
DOI: 10.7270/q2k64kvq
title: BindingDB Entry 50046437: Pyrazolo-Piperidines Exhibit Dual Inhibition of CCR5/CXCR4 HIV Entry and Reverse Transcriptase.

description: Small molecule binding data for protein C-C chemokine receptor type 5 and C-X-C chemokine receptor type 4 (CXCR4), Uniprot P51681 and P61073
DOI: 10.7270/q2kk9dnn
title: BindingDB Entry 50046940: Synthesis of 4-sulfamoylphenyl-benzylamine derivatives with inhibitory activity against human carbonic anhydrase isoforms I, II, IX and XII.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2m047cj
title: BindingDB Entry 50047456: Discovery of Dual Inhibitors for Wild Type and D816V Mutant of c-KIT Kinase through Virtual and Biochemical Screening of Natural Products.

description: Small molecule binding data for protein Tyrosine-protein kinase Kit (Kit), Uniprot P10721
DOI: 10.7270/q2m61n2d
title: BindingDB Entry 50046429: Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.

description: Small molecule binding data for protein Isocitrate Dehydrogenase (IDH1), Uniprot O75874
DOI: 10.7270/q2pk0hwj
title: BindingDB Entry 50045914: Interaction of silymarin flavonolignans with organic anion-transporting polypeptides.

description: Small molecule binding data for protein Solute carrier organic anion transporter family member 1B1 (OATP1B1), Solute carrier organic anion transporter family member 1B3 (OATP1B3), and Solute carrier organic anion transporter family member 2B1, Uniprot O94956, Q9NPD5, and Q9Y6L6
DOI: 10.7270/q2qc05cx
title: BindingDB Entry 50046939: Design, synthesis and anti-HIV evaluation of novel diarylpyridine derivatives targeting the entrance channel of NNRTI binding pocket.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2sx6g6t
title: BindingDB Entry 50047974: Discovery of 8-Membered Ring Sulfonamides as Inhibitors of Oncogenic Mutant Isocitrate Dehydrogenase 1.

description: Small molecule binding data for protein Isocitrate Dehydrogenase (IDH1), Uniprot O75874
DOI: 10.7270/q2tb18m8
title: BindingDB Entry 50045913: Absorption, elimination, and metabolism of CS-1036, a novela-amylase inhibitor in rats and monkeys, and the relationship between gastrointestinal distribution and suppression of glucose absorption.

description: Small molecule binding data for protein Liver glycogen phosphorylase, Uniprot P09811
DOI: 10.7270/q2xp76x4
title: BindingDB Entry 50047973: Exploring

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5, Fibronectin receptor beta/Vitronectin receptor alpha, Integrin beta-3/Vitronectin receptor alpha, Integrin beta-5/Vitronectin receptor alpha, and Integrin beta-8, Uniprot P05106, P05556, P06756, P08648, and P18084
DOI: 10.7270/q2z039wt
title: BindingDB Entry 50045912: Predicting the drug interaction potential of AMG 853, a dual antagonist of the D-prostanoid and chemoattractant receptor-homologous molecule expressed on T helper 2 cells receptors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 2E1, Cytochrome P450 2J2, and Cytochrome P450 3A, Uniprot P05177, P05181, P08684, P10632, P10635, P11712, P20813, P33261, and P51589
DOI: 10.7270/q2z89f9w
title: BindingDB Entry 50047462: 5-((3-Amidobenzyl)oxy)nicotinamides as Sirtuin 2 Inhibitors.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1, NAD-dependent deacetylase sirtuin 2, NAD-dependent protein deacetylase sirtuin-3 (SIRT3), and NAD-dependent protein deacetylase sirtuin-5 (SIRT5), Uniprot Q8IXJ6, Q96EB6, Q9NTG7, and Q9NXA8
DOI: 10.7270/q2zc84pr
title: BindingDB Entry 50046434: Inhibitors of the Epidermal Growth Factor Receptor (EGFR) May Provide Effective Treatment for Lung Adenocarcinoma.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q21g0p75
title: BindingDB Entry 50047980: Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot P29274, P29275, P30542, and Q07343
DOI: 10.7270/q21v5gp6
title: BindingDB Entry 50045919: Mechanism-based inactivation of cytochrome P450 2B6 by methadone through destruction of prosthetic heme.

description: Small molecule binding data for protein Cytochrome P450 2B6, Uniprot P20813
DOI: 10.7270/q22j6dqd
title: BindingDB Entry 50046944: Synthesis, biological evaluation and molecular modeling of a novel series of 7-azaindole based tri-heterocyclic compounds as potent CDK2/Cyclin E inhibitors.

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 4 (CDK4), and Cyclin-Dependent Kinase 5 (CDK5), Uniprot P06493, P11802, P14635, P24385, P24864, P24941, Q00535, and Q15078
DOI: 10.7270/q2571dzg
title: BindingDB Entry 50047979: TBA

description: Small molecule binding data for protein Shiga toxin subunit A
DOI: 10.7270/q25h7j0m
title: BindingDB Entry 50045918: Role of human UDP-glucuronosyltransferases in the biotransformation of the triazoloacridinone and imidazoacridinone antitumor agents C-1305 and C-1311: highly selective substrates for UGT1A10.

description: Small molecule binding data for protein UDP-glucuronosyltransferase 1-9, Uniprot O60656
DOI: 10.7270/q25q4z0h
title: BindingDB Entry 50047468: Astemizole Derivatives as Fluorescent Probes for hERG Potassium Channel Imaging.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Uniprot P40989
DOI: 10.7270/q25x2bqs
title: BindingDB Entry 50046440: Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.

description: Small molecule binding data for protein Histamine H1 receptor, Muscarinic acetylcholine receptor M1, PAK1, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase PAK6, Serine/threonine-protein kinase PAK7, p21-Activated kinase 2 (PAK2), and p21-Activated kinase 3 (PAK3), Uniprot O75914, O96013, P11229, P35367, Q13153, Q13177, Q9NQU5, and Q9P286
DOI: 10.7270/q28w3g8k
title: BindingDB Entry 50047978: Measurement of Ligand-Target Residence Times by

description: Small molecule binding data for protein Major pollen allergen Bet v 1-A and Serum albumin, Uniprot P02769
DOI: 10.7270/q29888qx
title: BindingDB Entry 50045917: Mechanism-based inactivation of cytochrome P450 3A4 by mibefradil through heme destruction.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q29g5ppc
title: BindingDB Entry 50047467: Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells.

description: Small molecule binding data for protein Cyclin-C and Cyclin-Dependent Kinase 9 (CDK9), Uniprot O60563, P24863, and P50750
DOI: 10.7270/q29p33d2
title: BindingDB Entry 50046439: Dimeric Macrocyclic Antagonists of Inhibitor of Apoptosis Proteins for the Treatment of Cancer.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3), Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Pregnane X receptor (PXR), and X-linked inhibitor of apoptosis protein (XIAP), Uniprot O75469, P05177, P08684, P10632, P10635, P11712, P20813, P98170, and Q13489
DOI: 10.7270/q2dn4709
title: BindingDB Entry 50047977: Structure-Based Scaffold Repurposing for G Protein-Coupled Receptors: Transformation of Adenosine Derivatives into 5HT

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Adenosine A2 receptor, Adenosine receptor A1, Adenosine receptor A2a, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Monoamine transporters; Norepinephrine & dopamine, Serotonin 3 (5-HT3) receptor, Serotonin receptor (2b and 2c), Sigma-1 receptor, Translocator protein, and Transmembrane domain-containing protein TMIGD3, Uniprot P05177, P08684, P0DMS9, P10635, P11712, P25099, P28223, P28335, P29274, P30536, P30542, P30543, P33261, P41595, P46098, Q01959, and Q60492
DOI: 10.7270/q2f76ffj
title: BindingDB Entry 50047466: Potential Use of Inhibitors of Tankyrases and PARP-1 as Treatment for Cancer and Other Diseases.

description: Small molecule binding data for protein Tankyrase 1/2 and poly-ADP-ribose polymerase 1 (PARP1), Uniprot O95271, P09874, and Q9H2K2
DOI: 10.7270/q2ff3v4d
title: BindingDB Entry 50046438: BRD4 Structure-Activity Relationships of Dual PLK1 Kinase/BRD4 Bromodomain Inhibitor BI-2536.

description: Small molecule binding data for protein Bromodomain-containing protein 4 and Serine/threonine-protein kinase PLK1, Uniprot O60885 and P53350
DOI: 10.7270/q2jd4zrp
title: BindingDB Entry 50047976: Design, synthesis and activity of novel sorafenib analogues bearing chalcone unit.

description: Small molecule binding data for protein RAF serine/threonine protein kinase and Vascular endothelial growth factor receptor 2, Uniprot P15056 and P35968
DOI: 10.7270/q2jm2cgc
title: BindingDB Entry 50046948: Neuroprotective profile of pyridothiazepines with blocking activity of the mitochondrial Na(+)/Ca(2+) exchanger.

description: Small molecule binding data for protein Sodium/potassium/calcium exchanger 6, mitochondrial, Uniprot Q6J4K2
DOI: 10.7270/q2k07658
title: BindingDB Entry 50047465: MALT1 Inhibitors May Potentially Treat Lymphomas and Autoimmune Disorders.

description: Small molecule binding data for protein MALT lymphoma-associated translocation (MALT1), Uniprot Q9UDY8
DOI: 10.7270/q2nk3gsm
title: BindingDB Entry 50045922: Hydralazine as a selective probe inactivator of aldehyde oxidase in human hepatocytes: estimation of the contribution of aldehyde oxidase to metabolic clearance.

description: Small molecule binding data for protein Aldehyde oxidase, Uniprot Q06278
DOI: 10.7270/q2p55qgd
title: BindingDB Entry 50047975: Identification of the minimum PAR4 inhibitor pharmacophore and optimization of a series of 2-methoxy-6-arylimidazo[2,1-b][1,3,4]thiadiazoles.

description: Small molecule binding data for protein Proteinase-activated receptor 1 (PAR1) and Proteinase-activated receptor 4 (PAR4), Uniprot P25116 and Q96RI0
DOI: 10.7270/q2pc347j
title: BindingDB Entry 50046947: Recent developments of 2-aminothiazoles in medicinal chemistry.

description: Small molecule binding data for protein Casein kinase I delta, Casein kinase I delta/epsilon, Neurotrophic tyrosine kinase receptor, Reverse transcriptase, and TRAF2- and NCK-interacting kinase, Uniprot P04629, P49674, Q06486, Q9UKE5, and Q9WKE8
DOI: 10.7270/q2pr7xww
title: BindingDB Entry 50047464: Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.

description: Small molecule binding data for protein Hexokinase type I, Hexokinase type IV, and Hexokinase-2, Uniprot P19367, P35557, and P52789
DOI: 10.7270/q2pz5bmk
title: BindingDB Entry 50046436: Left-Hand Side Exploration of Novel Bacterial Topoisomerase Inhibitors to Improve Selectivity against hERG Binding.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2sb47hb
title: BindingDB Entry 50045921: Interaction of lapatinib with cytochrome P450 3A5.

description: Small molecule binding data for protein Cytochrome P450 3A5 (CYP3A5), Uniprot P20815
DOI: 10.7270/q2t43vzg
title: BindingDB Entry 50046946: Arylpiperidines as a new class of oxidosqualene cyclase inhibitors.

description: Small molecule binding data for protein Lanosterol synthase, Uniprot P48449
DOI: 10.7270/q2th8pmm
title: BindingDB Entry 50047463: Cathepsin B Inhibitors: Combining Dipeptide Nitriles with an Occluding Loop Recognition Element by Click Chemistry.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, Cathepsin L1, and Cathepsin S, Uniprot P07711, P07858, P25774, and P43235
DOI: 10.7270/q2tq639v
title: BindingDB Entry 50046435: Optimization of Novel Antagonists to the Neurokinin-3 Receptor for the Treatment of Sex-Hormone Disorders (Part II).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Neurokinin 3 receptor, Neuromedin-K receptor, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P16177, P29371, P33261, and Q12809
DOI: 10.7270/q2x3506m
title: BindingDB Entry 50045920: Metabolic chiral inversion of brivanib and its relevance to safety and pharmacology.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1 and Vascular endothelial growth factor receptor 2, Uniprot P11362 and P35968
DOI: 10.7270/q2xw4mnf
title: BindingDB Entry 50046945: Flexible analogues of WAY-267,464: Synthesis and pharmacology at the human oxytocin and vasopressin 1a receptors.

description: Small molecule binding data for protein Oxytocin receptor and Vasopressin V1a receptor (V1a), Uniprot P30559 and P37288
DOI: 10.7270/q20v8fhc
title: BindingDB Entry 50045927: Glucuronidation of the red clover isoflavone irilone by liver microsomes from different species and human UDP-glucuronosyltransferases.

description: Small molecule binding data for protein UDP-glucuronosyltransferase 1-10, UDP-glucuronosyltransferase 1-7, UDP-glucuronosyltransferase 1-8, UDP-glucuronosyltransferase 1-9, and Uridine-5'-diphosphoglucuronosyltransferase 1A1, Uniprot O60656, P22309, Q9HAW7, Q9HAW8, and Q9HAW9
DOI: 10.7270/q2183895
title: BindingDB Entry 50046449: A Ligand-Based Drug Design. Discovery of 4-Trifluoromethyl-7,8-pyranocoumarin as a Selective Inhibitor of Human Cytochrome P450 1A2.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 1A1, and Cytochrome P450 1B1, Uniprot P04798, P05177, and Q16678
DOI: 10.7270/q21n82zw
title: BindingDB Entry 50046952: Synthesis and evaluation of vitamin D receptor-mediated activities of cholesterol and vitamin D metabolites.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q2222wpd
title: BindingDB Entry 50047469: Synthesis and Evaluation of Macrocyclic Peptide Aldehydes as Potent and Selective Inhibitors of the 20S Proteasome.

description: Small molecule binding data for protein Calpain-2 (m-Calpain) and Cathepsin (B and K), Uniprot P07858 and P17655
DOI: 10.7270/q2251m0s
title: BindingDB Entry 50046441: Exploring the Existing Drug Space for Novel pTyr Mimetic and SHP2 Inhibitors.

description: Small molecule binding data for protein Dual specificity protein phosphatase (VHR), Dual specificity protein phosphatase CDC14A, Hematopoietic protein-tyrosine phosphatase (HEPTP), Low molecular weight phosphotyrosine protein phosphatase (LMWPTP), Protein phosphatase 5 (PP5), Protein tyrosine phosphatase SHP-2 (SHP-2), Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Protein-tyrosine phosphatase MEG2 (PTP-Meg2), Protein-tyrosine phosphatase alpha, Receptor-type tyrosine-protein phosphatase F (LAR), Receptor-type tyrosine-protein phosphatase beta (PTPβ), Receptor-type tyrosine-protein phosphatase epsilon (PTPε), Receptor-type tyrosine-protein phosphatase gamma (PTPγ), Receptor-type tyrosine-protein phosphatase mu (PTPμ), and Tyrosine-protein phosphatase non-receptor type 22, Uniprot P10586, P18031, P18433, P23467, P23469, P23470, P24666, P28827, P29350, P35236, P43378, P51452, P53041, Q06124, Q9UNH5, and Q9Y2R2
DOI: 10.7270/q24m9673
title: BindingDB Entry 50045926: Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q25b04c6
title: BindingDB Entry 50046951: Highly improved antiparasitic activity after introduction of an N-benzylimidazole moiety on protein farnesyltransferase inhibitors.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT), Uniprot P49354 and P49356
DOI: 10.7270/q28054k8
title: BindingDB Entry 50047986: Rational Design of Novel Highly Potent and Selective Phosphatidylinositol 4-Kinase IIIß (PI4KB) Inhibitors as Broad-Spectrum Antiviral Agents and Tools for Chemical Biology.

description: Small molecule binding data for protein PI4KA/PI4KAP2, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Phosphatidylinositol 4-kinase type 2-alpha, and Phosphatidylinositol 4-kinase, PI4K, Uniprot O00329, P42336, P42338, P48736, Q9BTU6, and Q9UBF8
DOI: 10.7270/q28917mj
title: BindingDB Entry 50045925: CYP4F enzymes are responsible for the elimination of fingolimod (FTY720), a novel treatment of relapsing multiple sclerosis.

description: Small molecule binding data for protein Phylloquinone omega-hydroxylase CYP4F2, Uniprot P78329
DOI: 10.7270/q2930w1n
title: BindingDB Entry 50046950: 4-Aryl-3-arylsulfonyl-quinolines as negative allosteric modulators of metabotropic GluR5 receptors: From HTS hit to development candidate.

description: Small molecule binding data for protein Metabotropic glutamate receptor and Metabotropic glutamate receptor 5, Uniprot P31424 and P41594
DOI: 10.7270/q2cn75vh
title: BindingDB Entry 50047985: Discovery of Novel Bruton's Tyrosine Kinase (BTK) Inhibitors Bearing a

description: Small molecule binding data for protein JAK3/JAK1 and Tyrosine-protein kinase BTK, Uniprot P52333 and Q06187
DOI: 10.7270/q2d220b8
title: BindingDB Entry 50045924: Involvement of organic anion-transporting polypeptides in the hepatic uptake of dioscin in rats and humans.

description: Small molecule binding data for protein Solute carrier organic anion transporter family member 1B3 (OATP1B3), Uniprot Q9NPD5
DOI: 10.7270/q2d79d95
title: BindingDB Entry 50047474: Identification and Preclinical Pharmacology of BMS-986104: A Differentiated S1P1 Receptor Modulator in Clinical Trials.

description: Small molecule binding data for protein Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q2df6sz5
title: BindingDB Entry 50046446: Identification and optimisation of 4,5-dihydrobenzo[1,2-d:3,4-d]bisthiazole and 4,5-dihydrothiazolo[4,5-h]quinazoline series of selective phosphatidylinositol-3 kinase alpha inhibitors.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, Phosphatidylinositol 3-kinase catalytic subunit type 3, Phosphatidylinositol 4-kinase beta (PIK4KB), and Voltage-gated potassium channel, Uniprot O00329, P42336, P42338, P48736, Q12809, Q8NEB9, and Q9UBF8
DOI: 10.7270/q2dv1mq6
title: BindingDB Entry 50046949: Flavonoid derivatives as selective ABCC1 modulators: Synthesis and functional characterization.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2, Multidrug resistance-associated protein 1, and P-glycoprotein 1, Uniprot P08183, P33527, and Q9UNQ0
DOI: 10.7270/q2hd7xkv
title: BindingDB Entry 50047984: Identification, Synthesis, and Biological Evaluation of the Major Human Metabolite of NLRP3 Inflammasome Inhibitor MCC950.

description: Small molecule binding data for protein NACHT, LRR and PYD domains-containing protein 3 and NLRP3 protein, Uniprot Q8R4B8 and Q96P20
DOI: 10.7270/q2ht2r29
title: BindingDB Entry 50045923: Potential role of UGT1A4 promoter SNPs in anastrozole pharmacogenomics.

description: Small molecule binding data for protein Uridine-5'-diphosphoglucuronosyltransferase 1A4, Uniprot P22310
DOI: 10.7270/q2j67jpw
title: BindingDB Entry 50046445: Discovery and Characterization of a Water-Soluble Prodrug of a Dual Inhibitor of Bacterial DNA Gyrase and Topoisomerase IV.

description: Small molecule binding data for protein DNA Gyrase and Topoisomerase IV, Uniprot P0A0K8, P0C1U9, P20831, and Q2FYS5
DOI: 10.7270/q2n58p9k
title: BindingDB Entry 50047983: Identification of Triptophenolide from

description: Small molecule binding data for protein Androgen Receptor and Androgen receptor, Uniprot P10275 and P15207
DOI: 10.7270/q2nz89d9
title: BindingDB Entry 50046444: Carbonic Anhydrase Glycoinhibitors belonging to the Aminoxysulfonamide Series.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2rx9f10
title: BindingDB Entry 50047982: When Does Chemical Elaboration Induce a Ligand To Change Its Binding Mode?

description: Small molecule binding data for protein Carbonic anhydrase 2, Uniprot P00918
DOI: 10.7270/q2sj1njp
title: BindingDB Entry 50047471: Design, Syntheses, and Anti-TB Activity of 1,3-Benzothiazinone Azide and Click Chemistry Products Inspired by BTZ043.

description: Small molecule binding data for protein Decaprenylphosphoryl-beta-D-ribose oxidase, Uniprot P9WJF1
DOI: 10.7270/q2sq925g
title: BindingDB Entry 50046443: Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.

description: Small molecule binding data for protein Discoidin domain-containing receptor 2, Epithelial discoidin domain-containing receptor 1, and Tyrosine-protein kinase Kit (Kit), Uniprot P10721, Q08345, and Q16832