cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q28g8nfn
title: BindingDB Entry 50045894: Comparison of metabolism of sesamin and episesamin by drug-metabolizing enzymes in human liver.

description: Small molecule binding data for protein Cytochrome P450 2C9, Uniprot P11712
DOI: 10.7270/q2c82c1j
title: BindingDB Entry 50045901: Inactivation of cytochrome P450 (P450) 3A4 but not P450 3A5 by OSI-930, a thiophene-containing anticancer drug.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2cv4kqm
title: BindingDB Entry 50047954: Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.

description: Small molecule binding data for protein Protein polybromo-1, Uniprot Q86U86
DOI: 10.7270/q2d220g2
title: BindingDB Entry 50046926: Synthesis and biological activity of diisothiocyanate-derived mercapturic acids.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2h70hrr
title: BindingDB Entry 50047449: Exploring new chemical functionalities to improve aromatase inhibition of steroids.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2hd7xf2
title: BindingDB Entry 50046422: Synthesis and biological evaluation of (3',5'-dichloro-2,6-dihydroxy-biphenyl-4-yl)-aryl/alkyl-methanone selective CB2 inverse agonist.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, and Cannabinoid receptor 2, Uniprot P20272, P21554, P34972, and P47936
DOI: 10.7270/q2ht2r63
title: BindingDB Entry 50046925: Synthesis, experimental evaluation and molecular modelling of hydroxamate derivatives as zinc metalloproteinase inhibitors.

description: Small molecule binding data for protein ADAM17, Collagenase, Pseudolysin, and Thermolysin, Uniprot P00800, P08253, P14756, P14780, and P78536
DOI: 10.7270/q2ms3vgw
title: BindingDB Entry 50045899: Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance.

description: Small molecule binding data for protein Cytochrome P450 1A2, Uniprot P04799
DOI: 10.7270/q2n018gg
title: BindingDB Entry 50047448: TBA

description: Small molecule binding data for protein 20S proteasome chymotrypsin-like, Proteasome Macropain subunit, and Proteasome component C5, Uniprot P20618, P28074, and P49721
DOI: 10.7270/q2nk3gwz
title: BindingDB Entry 50046924: Structural refinement of pyrazolo[4,3-d]pyrimidine derivatives to obtain highly potent and selective antagonists for the human A3 adenosine receptor.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2a and A3, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P28647, P29274, P29275, and P30542
DOI: 10.7270/q2r49srm
title: BindingDB Entry 50047959: Development of 6-arylcoumarins as nonsteroidal progesterone antagonists. Structure-activity relationships and fluorescence properties.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, and Progesterone receptor, Uniprot P04150, P06401, and P10275
DOI: 10.7270/q2rf5wrf
title: BindingDB Entry 50045898: Evidence for substrate-dependent inhibition profiles for human liver aldehyde oxidase.

description: Small molecule binding data for protein Aldehyde oxidase, Uniprot Q06278
DOI: 10.7270/q2rr215f
title: BindingDB Entry 50047447: TBA

description: Small molecule binding data for protein Nicotinamide phosphoribosyltransferase, Uniprot P43490
DOI: 10.7270/q2rv0qg1
title: BindingDB Entry 50046420: Computer-aided identification, synthesis, and biological evaluation of novel inhibitors for botulinum neurotoxin serotype A.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot P10845
DOI: 10.7270/q2vx0jgk
title: BindingDB Entry 50047958: Design, synthesis, and structure-activity relationship of novel and effective apixaban derivatives as FXa inhibitors containing 1,2,4-triazole/pyrrole derivatives as P2 binding element.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q2w66ng5
title: BindingDB Entry 50045897: Reversible disulfide formation of the glutamate carboxypeptidase II inhibitor E2072 results in prolonged systemic exposures in vivo.

description: Small molecule binding data for protein Glutamate carboxypeptidase II, Uniprot Q04609
DOI: 10.7270/q2wd42gf
title: BindingDB Entry 50047446: Potential pancreatic lipase inhibitory activity of phenolic constituents from the root bark of Morus alba L.

description: Small molecule binding data for protein Pancreatic lipase, Uniprot P00591
DOI: 10.7270/q2wm1g59
title: BindingDB Entry 50046419: Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.

description: Small molecule binding data for protein Epidermal growth factor receptor and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00533 and P12931
DOI: 10.7270/q2x068vs
title: BindingDB Entry 50046922: Discovery and synthesis of cyclohexenyl derivatives as modulators of CC chemokine receptor 2 activity.

description: Small molecule binding data for protein C-C chemokine receptor type 2, Uniprot O95950 and P41597
DOI: 10.7270/q20003tm
title: BindingDB Entry 50045904: In vitro investigations into the roles of drug transporters and metabolizing enzymes in the disposition and drug interactions of dolutegravir, a HIV integrase inhibitor.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2, Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Multidrug resistance-associated protein 2 (MRP2), P-glycoprotein 1, Solute carrier family 22 member 2, Solute carrier organic anion transporter family member 1B1 (OATP1B1), Solute carrier organic anion transporter family member 1B3 (OATP1B3), and Uridine-5'-diphosphoglucuronosyltransferase 1A1, Uniprot O15244, P05177, P08183, P08684, P10632, P10635, P11509, P11712, P20813, P22309, P33261, Q92887, Q9NPD5, Q9UNQ0, and Q9Y6L6
DOI: 10.7270/q2057hvd
title: BindingDB Entry 50047453: Molecular design, synthesis and anticoagulant activity evaluation of fluorinated dabigatran analogues.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q20c4xht
title: BindingDB Entry 50046426: Design, chemical synthesis and biological evaluation of 3-spiromorpholinone/3-spirocarbamate androsterone derivatives as inhibitors of 17ß-hydroxysteroid dehydrogenase type 3.

description: Small molecule binding data for protein Testosterone 17-beta-dehydrogenase 3, Uniprot O54939
DOI: 10.7270/q20r9r7v
title: BindingDB Entry 50046929: Cardanol-derived AChE inhibitors: Towards the development of dual binding derivatives for Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275, P22303, and P81908
DOI: 10.7270/q23b623f
title: BindingDB Entry 50047964: A Cyclic Tetrapeptide ("Cyclodal") and Its Mirror-Image Isomer Are Both High-Affinityµ Opioid Receptor Antagonists.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, Opioid receptors; mu and delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, P33535, P41144, and P97266
DOI: 10.7270/q23r0vk3
title: BindingDB Entry 50045903: Cytochrome P450-mediated oxidative metabolism of abused synthetic cannabinoids found in K2/Spice: identification of novel cannabinoid receptor ligands.

description: Small molecule binding data for protein Cannabinoid receptor 1 (CB1R), Uniprot P47746
DOI: 10.7270/q23x88jc
title: BindingDB Entry 50047452: Exploring the 2- and 5-positions of the pyrazolo[4,3-d]pyrimidin-7-amino scaffold to target human A1 and A2A adenosine receptors.

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/q2445p7j
title: BindingDB Entry 50046425: Discovery of thieno[3,2-c]pyridin-4-amines as novel Bruton's tyrosine kinase (BTK) inhibitors.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, JAK3/JAK1, Tyrosine-protein kinase BTK, Tyrosine-protein kinase JAK2, and Vascular endothelial growth factor receptor 2, Uniprot O60674, P08581, P35968, P52333, and Q06187
DOI: 10.7270/q24j0gzq
title: BindingDB Entry 50046928: Identification of allosteric ERK2 inhibitors through in silico biased screening and competitive binding assay.

description: Small molecule binding data for protein MAP kinase ERK2, Uniprot P28482
DOI: 10.7270/q2736svt
title: BindingDB Entry 50047963: Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 4 and CREB-binding protein/Histone acetyltransferase p300, Uniprot O60885, Q09472, and Q92793
DOI: 10.7270/q27h1m9t
title: BindingDB Entry 50045902: Covalent modification and time-dependent inhibition of human CYP2E1 by the meta-isomer of acetaminophen.

description: Small molecule binding data for protein Cytochrome P450 2E1, Uniprot P05181
DOI: 10.7270/q27p919j
title: BindingDB Entry 50047451: Design, synthesis, structure-activity relationships, and docking studies of pyrazole-containing derivatives as a novel series of potent glucagon receptor antagonists.

description: Small molecule binding data for protein Glucagon receptor, Uniprot P47871
DOI: 10.7270/q27w6dzj
title: BindingDB Entry 50046424: Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR¿t inverse agonists.

description: Small molecule binding data for protein Nuclear receptor ROR-gamma, Uniprot P51449, P51450, and Q6I9R9
DOI: 10.7270/q28917qw
title: BindingDB Entry 50046927: Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Uniprot P14902
DOI: 10.7270/q2cf9s1w
title: BindingDB Entry 50047450: Synthesis and inhibitory evaluation of 3-linked imipramines for the exploration of the S2 site of the human serotonin transporter.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Uniprot P31645
DOI: 10.7270/q2cn75p8
title: BindingDB Entry 50046423: Discovery and structure of a new inhibitor scaffold of the autophagy initiating kinase ULK1.

description: Small molecule binding data for protein Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1), Serine/threonine-protein kinase ULK1, and Serine/threonine-protein kinase ULK2, Uniprot O75385, Q15118, and Q8IYT8
DOI: 10.7270/q2gm898h
title: BindingDB Entry 50047961: Tetrahydropyrazolo[4,3-c]pyridine derivatives as potent and peripherally selective cannabinoid-1 (CB1) receptor inverse agonists.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 1/Mu-type opioid receptor, Uniprot P21554 and P34972
DOI: 10.7270/q2h133rv
title: BindingDB Entry 50045900: Species differences in tissue distribution and enzyme activities of arylacetamide deacetylase in human, rat, and mouse.

description: Small molecule binding data for protein Arylacetamide deacetylase, Uniprot P22760
DOI: 10.7270/q2mc9207
title: BindingDB Entry 50047960: Tetrahydroindazole derivatives as potent and peripherally selective cannabinoid-1 (CB1) receptor inverse agonists.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 1/Mu-type opioid receptor, Uniprot P21554 and P34972
DOI: 10.7270/q2mk6frk
title: BindingDB Entry 50046932: Identification of benzothiophene amides as potent inhibitors of human nicotinamide phosphoribosyltransferase.

description: Small molecule binding data for protein Nicotinamide phosphoribosyltransferase, Uniprot P43490
DOI: 10.7270/q2n58p4b
title: BindingDB Entry 50046421: Antimalarial activity of prodrugs of N-branched acyclic nucleoside phosphonate inhibitors of 6-oxopurine phosphoribosyltransferases.

description: Small molecule binding data for protein Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), Uniprot P00492
DOI: 10.7270/q2qz2crz
title: BindingDB Entry 50046428: Evaluation of Homobivalent Carbolines as Designed Multiple Ligands for the Treatment of Neurodegenerative Disorders.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Butyrylcholinesterase (BuChE), Uniprot O42275, P21397, P27338, and P81908
DOI: 10.7270/q2rb76fv
title: BindingDB Entry 50046931: Synthesis, in vitro antimycobacterial evaluation and docking studies of some new 5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one schiff bases.

description: Small molecule binding data for protein Pantothenate synthetase, Uniprot P9WIL5
DOI: 10.7270/q2v69mbs
title: BindingDB Entry 50045905: The inactivation of human CYP2E1 by phenethyl isothiocyanate, a naturally occurring chemopreventive agent, and its oxidative bioactivation.

description: Small molecule binding data for protein Cytochrome P450 2E1, Uniprot P05181
DOI: 10.7270/q2w097s9
title: BindingDB Entry 50046930: Discovery of EBI-907: A highly potent and orally active B-Raf(V600E) inhibitor for the treatment of melanoma and associated cancers.

description: Small molecule binding data for protein RAF serine/threonine protein kinase, Uniprot P15056
DOI: 10.7270/q22r3tct
title: BindingDB Entry 50045911: Acetylenic linkers in lead compounds: a study of the stability of the propargyl-linked antifolates.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR), Uniprot P0A017
DOI: 10.7270/q23j3fsw
title: BindingDB Entry 50046936: 3-(Piperidin-4-ylmethoxy)pyridine Containing Compounds Are Potent Inhibitors of Lysine Specific Demethylase 1.

description: Small molecule binding data for protein AKT/p21CIP1, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Lysine-specific histone demethylase 1A, Monoamine Oxidase Type B (MAO-B), and Monoamine oxidase, Uniprot O60341, P19643, P21396, P21397, P27338, and P31749
DOI: 10.7270/q26h4k3j
title: BindingDB Entry 50045910: The role of aldehyde oxidase and xanthine oxidase in the biotransformation of a novel negative allosteric modulator of metabotropic glutamate receptor subtype 5.

description: Small molecule binding data for protein Metabotropic glutamate receptor 5, Uniprot P41594
DOI: 10.7270/q27946hm
title: BindingDB Entry 50046935: Synthesis and Mechanism Studies of 1,3-Benzoazolyl Substituted Pyrrolo[2,3-b]pyrazine Derivatives as Nonintercalative Topoisomerase II Catalytic Inhibitors.

description: Small molecule binding data for protein Topoisomerase II alpha (HuTopoIIα), Uniprot P11388
DOI: 10.7270/q2b859tv
title: BindingDB Entry 50045909: Stereospecific metabolism of itraconazole by CYP3A4: dioxolane ring scission of azole antifungals.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2bg2qwn
title: BindingDB Entry 50047458: Pyrrolopyrimidine Derivatives as Novel Inhibitors of Multidrug Resistance-Associated Protein 1 (MRP1, ABCC1).

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2 and Multidrug resistance-associated protein 1, Uniprot P33527 and Q9UNQ0
DOI: 10.7270/q2bp04kw
title: BindingDB Entry 50046431: Discovery of 11ß-hydroxysteroid dehydrogenase type 1 inhibitor.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1 and 11-beta-hydroxysteroid dehydrogenase 2, Uniprot P28845, P50172, and P80365
DOI: 10.7270/q2bv7jk7
title: BindingDB Entry 50047962: Wortmannilactones I-L, new NADH-fumarate reductase inhibitors, induced by adding suberoylanilide hydroxamic acid to the culture medium of Talaromyces wortmannii.

description: Small molecule binding data for protein Fumarate reductase
DOI: 10.7270/q2c24z8d
title: BindingDB Entry 50046934: Extended structure-activity study of thienopyrimidine-based EGFR inhibitors with evaluation of drug-like properties.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2fn1854
title: BindingDB Entry 50047969: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Monoamine Oxidase Type B (MAO-B), and Monoamine oxidase, Uniprot P19643, P21396, P21397, and P27338
DOI: 10.7270/q2g162jk
title: BindingDB Entry 50045908: Identification of UDP-glucuronosyltransferases responsible for the glucuronidation of darexaban, an oral factor Xa inhibitor, in human liver and intestine.

description: Small molecule binding data for protein UDP-glucuronosyltransferase 1-10 and UDP-glucuronosyltransferase 1-8, Uniprot Q9HAW8 and Q9HAW9
DOI: 10.7270/q2g73gnt
title: BindingDB Entry 50047457: N-Acyl Dehydrotyrosines, Tyrosinase Inhibitors from the Marine Bacterium Thalassotalea sp. PP2-459.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q2gf0w97
title: BindingDB Entry 50046430: Discovery of Potent 17ß-Hydroxywithanolides for Castration-Resistant Prostate Cancer by High-Throughput Screening of a Natural Products Library for Androgen-Induced Gene Expression Inhibitors.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2gt5q18
title: BindingDB Entry 50046933: Design and discovery of Novel Thiazole acetamide derivatives as anticholinesterase agent for possible role in the management of Alzheimer's.

description: Small molecule binding data for protein Acetylcholinesterase, Beta amyloid A4 protein, and Butyrylcholinesterase (BuChE), Uniprot O42275, P05067, and P81908
DOI: 10.7270/q2kd20wf
title: BindingDB Entry 50047968: N-Arylsulfonyl-a-amino carboxamides are potent and selective inhibitors of the chemokine receptor CCR10 that show efficacy in the murine DNFB model of contact hypersensitivity.

description: Small molecule binding data for protein C-C chemokine receptor type 1, C-C chemokine receptor type 10, C-C chemokine receptor type 2, C-C chemokine receptor type 5, C-C chemokine receptor type 6 (CCR6), Histamine receptor (H4), Interleukin-8 receptors, CXCR2, and chemokine (C-X-C motif) receptor 3, Uniprot O95950, P25025, P32246, P41597, P49682, P51681, P51684, and Q9H3N8
DOI: 10.7270/q2ks6t8m
title: BindingDB Entry 50045907: Human UDP-glucuronosyltransferase isoforms involved in haloperidol glucuronidation and quantitative estimation of their contribution.

description: Small molecule binding data for protein UDP-glucuronosyltransferase 1-9 and Uridine-5'-diphosphoglucuronosyltransferase 2B7, Uniprot O60656 and P16662
DOI: 10.7270/q2q52rms
title: BindingDB Entry 50047967: Synthesis and evaluation of a 2-benzothiazolylphenylmethyl ether class of histamine H4 receptor antagonists.

description: Small molecule binding data for protein Histamine receptor (H3) and Histamine receptor (H4), Uniprot Q9H3N8 and Q9Y5N1
DOI: 10.7270/q2qj7k0b
title: BindingDB Entry 50045906: Evaluation of P450 inhibition and induction by artemisinin antimalarials in human liver microsomes and primary human hepatocytes.

description: Small molecule binding data for protein Cytochrome P450 2B6, Cytochrome P450 3A, and Pregnane X receptor (PXR), Uniprot O75469, P08684, and P20813
DOI: 10.7270/q2qr502h
title: BindingDB Entry 50047455: Fatty Acid Transport Proteins: Targeting FATP2 as a Gatekeeper Involved in the Transport of Exogenous Fatty Acids.

description: Small molecule binding data for protein Very long-chain acyl-CoA synthetase, Uniprot Q53FY6 A8K2J7 O14975 Q6PF09
DOI: 10.7270/q2tx3hcn
title: BindingDB Entry 50047966: Design and synthesis of peptide-based macrocyclic cyclophilin inhibitors.

description: Small molecule binding data for protein Cyclophilin A, Uniprot P62937
DOI: 10.7270/q2v40x1c
title: BindingDB Entry 50046938: Investigation ofa-conotoxin unbinding using umbrella sampling.

description: Small molecule binding data for protein Acetylcholine Binding protein, Uniprot Q8WSF8
DOI: 10.7270/q2vh5qr0
title: BindingDB Entry 50047454: Evaluation of N-substituent structural variations in opioid receptor profile of LP1.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P32300, P33533, P33535, P41145, and P97266
DOI: 10.7270/q2vm4f1x
title: BindingDB Entry 50046427: Synthesis and evaluation of arylpiperazine-reverse amides as biased dopamine D3 receptor ligands.

description: Small molecule binding data for protein Dopamine receptor and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416 and P35462
DOI: 10.7270/q2zp483c
title: BindingDB Entry 50047965: Identification of small molecules that bind to the mitochondrial protein mitoNEET.

description: Small molecule binding data for protein CDGSH iron-sulfur domain-containing protein 1, Uniprot Q9NZ45
DOI: 10.7270/q2zs2zch
title: BindingDB Entry 50046937: Modification of the anabaseine pyridine nucleus allows achieving binding and functional selectivity for thea3ß4 nicotinic acetylcholine receptor subtype.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, and Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P09483, P12390, P17787, P30926, P32297, P36544, P43681, and Q05941
DOI: 10.7270/q22f7qdf
title: BindingDB Entry 50047972: Synthesis and biological evaluation of ranitidine analogs as multiple-target-directed cognitive enhancers for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q22z17f0
title: BindingDB Entry 50047461: 2,4,6-Triaminopyrimidine as a Novel Hinge Binder in a Series of PI3Kd Selective Inhibitors.

description: Small molecule binding data for protein Phosphoinositide 3-Kinase (PI3K), delta, Uniprot O00329 and P27986
DOI: 10.7270/q2348n52
title: BindingDB Entry 50046433: Novel Pyrazine Amide Compounds.

description: Small molecule binding data for protein Amiloride-sensitive sodium channel subunit alpha, Uniprot Q61180
DOI: 10.7270/q2639rqf
title: BindingDB Entry 50047971: Synthesis and evaluation of the structural elements in alkylated tetrahydroisoquinolines for binding to CNS receptors.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, and Serotonin receptor (2b and 2c), Uniprot P08908, P14416, P28223, P28335, P30729, P34969, P35367, P35462, and P41595
DOI: 10.7270/q26975dp
title: BindingDB Entry 50046943: Fragment-Based Discovery of 2-Aminoquinazolin-4(3H)-ones As Novel Class Nonpeptidomimetic Inhibitors of the Plasmepsins I, II, and IV.

description: Small molecule binding data for protein Cathepsin D, Plasmepsin 2, and Plasmepsin I, Uniprot P07339, P39898, and P46925
DOI: 10.7270/q26q2048
title: BindingDB Entry 50047459: Sulfatase inhibitors for recidivist breast cancer treatment: A chemical review.

description: Small molecule binding data for protein Steroid Sulfatase (STS), Uniprot P08842