cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2m90b64
title: BindingDB Entry 50044442: New potent antibacterial oxazolidinone (MRX-I) with an improved class safety profile.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Cytochrome P450 2E1, Uniprot P05181 and P21397
DOI: 10.7270/q2mg7r4k
title: BindingDB Entry 50044976: Synthesis of the novel elemonic acid derivatives as Pin1 inhibitors.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Uniprot Q13526
DOI: 10.7270/q2n87c48
title: BindingDB Entry 50042851: PF-04859989 as a template for structure-based drug design: identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency.

description: Small molecule binding data for protein Kynurenine aminotransferase II (KAT II), Uniprot Q8N5Z0
DOI: 10.7270/q2qj7js7
title: BindingDB Entry 50043934: Discovery of 7-tetrahydropyran-2-yl chromans:ß-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors that reduce amyloidß-protein (Aß) in the central nervous system.

description: Small molecule binding data for protein Cathepsin D, Uniprot P07339
DOI: 10.7270/q2qz2cj8
title: BindingDB Entry 50044441: wALADin benzimidazoles differentially modulate the function of porphobilinogen synthase orthologs.

description: Small molecule binding data for protein Delta-aminolevulinic acid dehydratase, Delta-aminolevulinic acid dehydratase, chloroplastic, and Porphobilinogen synthase, Uniprot P0ACB2, P13716, P30124, and Q59643
DOI: 10.7270/q2qz2cnm
title: BindingDB Entry 50045426: Synthetic approaches, functionalization and therapeutic potential of quinazoline and quinazolinone skeletons: the advances continue.

description: Small molecule binding data for protein Dihydrofolate reductase and Epidermal growth factor receptor, Uniprot P00374 and P00533
DOI: 10.7270/q2s183vk
title: BindingDB Entry 50042850: [11C]olanzapine, radiosynthesis and lipophilicity of a new potential PET 5-HT2 and D2 receptor radioligand.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P28223, and P28335
DOI: 10.7270/q2th8p4b
title: BindingDB Entry 50043314: Synthesis and optimization of novel (3S,5R)-5-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)piperidine-3-carboxamides as orally active renin inhibitors.

description: Small molecule binding data for protein Renin, Uniprot P00797 and Q6DLS0
DOI: 10.7270/q2v989jd
title: BindingDB Entry 50043933: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Pregnane X receptor (PXR), Uniprot O75469, P05177, P10635, P11712, and P33261
DOI: 10.7270/q2vq347j
title: BindingDB Entry 50044440: Identification of tetrapeptides from a mixture based positional scanning library that can restore nM full agonist function of the L106P, I69T, I102S, A219V, C271Y, and C271R human melanocortin-4 polymorphic receptors (hMC4Rs).

description: Small molecule binding data for protein Melanocortin receptor 1, Melanocortin receptor 3, Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P32245, P33033, P41149, P56450, and Q01727
DOI: 10.7270/q2vq34cb
title: BindingDB Entry 50045425: Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT1A activity. Part 4.

description: Small molecule binding data for protein Serotonin (5-HT) receptor and Sodium-dependent serotonin transporter, Uniprot P19327 and P31652
DOI: 10.7270/q2w097km
title: BindingDB Entry 50044974: ß-Keto andß-hydroxyphosphonate analogs of biotin-5'-AMP are inhibitors of holocarboxylase synthetase.

description: Small molecule binding data for protein Biotin--protein ligase and BirA Bifunctional Protein, Uniprot P06709 and P50747
DOI: 10.7270/q2ws8vm2
title: BindingDB Entry 50042849: Evaluation of (Z)-2-((1-benzyl-1H-indol-3-yl)methylene)-quinuclidin-3-one analogues as novel, high affinity ligands for CB1 and CB2 cannabinoid receptors.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 1 (CB1R), and Cannabinoid receptor 2, Uniprot P21554, P34972, and P47746
DOI: 10.7270/q2z89dt6
title: BindingDB Entry 50043313: Synthesis of quaternarya-amino acid-based arginase inhibitors via the Ugi reaction.

description: Small molecule binding data for protein Arginase-1 and Arginase-2, mitochondrial, Uniprot P05089 and P78540
DOI: 10.7270/q20k29x2
title: BindingDB Entry 50042856: Structure-activity relationship study of tachykinin peptides for the development of novel neurokinin-3 receptor selective agonists.

description: Small molecule binding data for protein Neurokinin 3 receptor, Uniprot P29371
DOI: 10.7270/q2222w64
title: BindingDB Entry 50043320: Truncation of the peptide sequence in bifunctional ligands with mu and delta opioid receptor agonist and neurokinin 1 receptor antagonist activities.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P14600 and P25103
DOI: 10.7270/q22v2hmw
title: BindingDB Entry 50043939: Formosusin A, a novel specific inhibitor of mammalian DNA polymeraseß from the fungus Paecilomyces formosus.

description: Small molecule binding data for protein DNA nucleotidylexotransferase, DNA polymerase, DNA polymerase alpha catalytic subunit, DNA polymerase beta, DNA polymerase delta catalytic subunit, DNA polymerase eta, DNA polymerase kappa, DNA polymerase lambda, DNA-directed DNA/RNA polymerase mu, DNA-directed RNA polymerase, Deoxyribonuclease-1, Inosine-5'-monophosphate dehydrogenase 2, and Polynucleotide kinase, Uniprot D9IEQ8, P00573, P00639, P04415, P06526, P06766, P06855, P24547, P26019, P54358, Q9NP87, Q9QXE2, Q9UBT6, Q9UGP5, and Q9Y253
DOI: 10.7270/q2377b8b
title: BindingDB Entry 50044446: Discovery of novel and selective SIRT6 inhibitors.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1, NAD-dependent deacetylase sirtuin 2, and Sirtuin-6 (SIRT6), Uniprot Q8IXJ6, Q8N6T7, and Q96EB6
DOI: 10.7270/q2377bd4
title: BindingDB Entry 50045431: Design, synthesis and biological evaluation of a class of bioisosteric oximes of the novel dual peroxisome proliferator-activated receptora/¿ ligand LT175.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor and Peroxisome proliferator-activated receptor alpha (PPAR alpha), Uniprot P37231 and Q07869
DOI: 10.7270/q23j3fk6
title: BindingDB Entry 50044980: Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase.

description: Small molecule binding data for protein Lactate dehydrogenase A (LDHA), Uniprot P00338
DOI: 10.7270/q24b32p7
title: BindingDB Entry 50042855: Discovery of non-peptide inhibitors of Plasmepsin II by structure-based virtual screening.

description: Small molecule binding data for protein Plasmepsin 2, Uniprot P46925
DOI: 10.7270/q25t3mwp
title: BindingDB Entry 50043319: Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Nicotinamide phosphoribosyltransferase, Uniprot P05177, P10635, P11712, P33261, and P43490
DOI: 10.7270/q26m38bm
title: BindingDB Entry 50043938: 4-Bicyclic heteroaryl-piperidine derivatives as potent, orally bioavailable stearoyl-CoA desaturase-1 (SCD1) inhibitors: part 2. Pyridazine-based analogs.

description: Small molecule binding data for protein Stearoyl-CoA desaturase 1 and Stearoyl-CoA desaturase 1 (SCD1), Uniprot O00767 and P07308
DOI: 10.7270/q2708302
title: BindingDB Entry 50044445: Efficacious inhaled PDE4 inhibitors with low emetic potential and long duration of action for the treatment of COPD.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Phosphodiesterase 4, Voltage-gated potassium channel, cAMP-specific 3',5'-cyclic phosphodiesterase 4A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot P05177, P08684, P10635, P11712, P14646, P27815, P33261, Q07343, Q08499, and Q12809
DOI: 10.7270/q2765gz3
title: BindingDB Entry 50044979: Novel benzothiazinones (BTOs) as allosteric modulator or substrate competitive inhibitor of glycogen synthase kinase 3ß (GSK-3ß) with cellular activity of promoting glucose uptake.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Glycogen synthase kinase-3, and Vascular endothelial growth factor receptor 2, Uniprot P11362, P35968, and P49841
DOI: 10.7270/q2833tdk
title: BindingDB Entry 50042854: Synthesis and evaluation of non-dimeric HCV NS5A inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, and P11712
DOI: 10.7270/q2bc412b
title: BindingDB Entry 50043937: Fragment-based identification of amides derived from trans-2-(pyridin-3-yl)cyclopropanecarboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Nicotinamide phosphoribosyltransferase, Uniprot P05177, P10635, P11712, P33261, and P43490
DOI: 10.7270/q2br8tr4
title: BindingDB Entry 50044444: Biological evaluation of tanshindiols as EZH2 histone methyltransferase inhibitors.

description: Small molecule binding data for protein EZH2/SUZ12/EED complex and Polycomb protein EED (EED), Uniprot O75530, Q15022, and Q15910
DOI: 10.7270/q2bz67n2
title: BindingDB Entry 50044978: Finding the perfect spot for fluorine: improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2cv4k3j
title: BindingDB Entry 50042853: A new series of N2-substituted-5-(p-toluenesulfonylamino)phthalimide analogues asa-glucosidase inhibitors.

description: Small molecule binding data for protein Acidic alpha-glucosidase and Lactase-glycosylceramidase, Uniprot Q02401 and Q6P7A9
DOI: 10.7270/q2ff3v12
title: BindingDB Entry 50045436: Synthesis and biological evaluation of DAPY-DPEs hybrids as non-nucleoside inhibitors of HIV-1 reverse transcriptase.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2g44rtq
title: BindingDB Entry 50043936: Tetrahydroquinoline derivatives as potent and selective factor XIa inhibitors.

description: Small molecule binding data for protein Coagulation factor X, Coagulation factor X/antithrombin III, Coagulation factor XI, Plasminogen, Tissue-type plasminogen activator, and Vitamin K-dependent protein C, Uniprot O19045, P00742, P00747, P00750, P03951, and P04070
DOI: 10.7270/q2gh9kh9
title: BindingDB Entry 50044443: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence.

description: Small molecule binding data for protein Histamine H2 Receptor, Histamine receptor (H4), Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 3 (mGlu3), Metabotropic glutamate receptor 4 (mGlu4), Metabotropic glutamate receptor 6 (mGlu6), and metabotropic glutamate 1/2, Uniprot P23385, P25021, P31422, P31423, P35349, Q14416, and Q9H3N8
DOI: 10.7270/q2gq70cs
title: BindingDB Entry 50044977: Phosphoinositide-3-kinase inhibitors: evaluation of substituted alcohols as replacements for the piperazine sulfonamide portion of AMG 511.

description: Small molecule binding data for protein Serine/threonine-protein kinase mTOR, Uniprot P42345
DOI: 10.7270/q2j38v00
title: BindingDB Entry 50043324: Novel selective inhibitors of aminopeptidases that generate antigenic peptides.

description: Small molecule binding data for protein Cystinyl aminopeptidase, Endoplasmic reticulum aminopeptidase 1, and Endoplasmic reticulum aminopeptidase 2, Uniprot Q6P179, Q9NZ08, and Q9UIQ6
DOI: 10.7270/q2k64kqx
title: BindingDB Entry 50045435: Improving selectivity preserving affinity: new piperidine-4-carboxamide derivatives as effective sigma-1-ligands.

description: Small molecule binding data for protein Sigma-1 receptor, Uniprot Q60492
DOI: 10.7270/q2pz5bgs
title: BindingDB Entry 50045434: Heteroatom insertion into 3,4-dihydro-1H-quinolin-2-ones leads to potent and selective inhibitors of human and rat aldosterone synthase.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 11B2, Cytochrome P450 17A1, and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P05093, P11511, P15538, and P19099
DOI: 10.7270/q2r212qr
title: BindingDB Entry 50042858: Synthesis and evaluation of an imidazole derivative-fluorescein conjugate.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2r78gvw
title: BindingDB Entry 50044975: The SAR development of substituted purine derivatives as selective CB2 agonists for the treatment of chronic pain.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, and Cannabinoid receptor 2 (CB2), Uniprot P21554, P34972, and Q9QZN9
DOI: 10.7270/q2tb18dk
title: BindingDB Entry 50043941: Design, synthesis, and pharmacological evaluation of a novel series of pyridopyrazine-1,6-dione¿-secretase modulators.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, and Cytochrome P450 2D6 (2D6), Uniprot P05177, P10632, P10635, P11712, and P33261
DOI: 10.7270/q2tq636h
title: BindingDB Entry 50045433: Novel fluoroalkyl derivatives of selective kappa opioid receptor antagonist JDTic: Design, synthesis, pharmacology and molecular modeling studies.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P34975, P35372, P41143, and P41145
DOI: 10.7270/q2x92cr8
title: BindingDB Entry 50043321: Antithrombotic effects of LB30870, a potent, orally active, selective and direct thrombin inhibitor, and pharmacokinetics of its prodrug.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Plasminogen, and Tissue-type plasminogen activator, Uniprot P00742, P00747, and P00750
DOI: 10.7270/q2z32149
title: BindingDB Entry 50043940: Optimization of brain penetrant 11ß-hydroxysteroid dehydrogenase type I inhibitors and in vivo testing in diet-induced obese mice.

description: Small molecule binding data for protein 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1), 11-beta-hydroxysteroid dehydrogenase 1, and Epoxide hydratase, Uniprot P16232, P28845, P34913, and P50172
DOI: 10.7270/q2zg6tsn
title: BindingDB Entry 50044447: Synthesis and biological evaluation of a unique heparin mimetic hexasaccharide for structure-activity relationship studies.

description: Small molecule binding data for protein Acidic fibroblast growth factor, Basic fibroblast growth factor, Bone morphogenetic protein 2, Bone morphogenetic protein 4, Bone morphogenetic protein 6, C-C motif chemokine 2, C-C motif chemokine 5, C-X-C motif chemokine 2, Chemokine CXCL12, Eotaxin, Fibroblast growth factor 4, Fibroblast growth factor 7, Heparanase, Interferon gamma, Platelet factor 4, Proheparin-binding EGF-like growth factor, Protein Wnt-3a, Secreted frizzled-related protein 1, Sonic hedgehog protein, and Vascular endothelial growth factor A, Uniprot P01579, P02776, P05230, P08620, P09038, P12643, P12644, P13500, P13501, P15692, P19875, P21781, P22004, P48061, P51671, P56704, Q15465, Q8N474, Q99075, and Q9Y251
DOI: 10.7270/q2zg6txf
title: BindingDB Entry 50045432: Synthesis and structure-activity relationships of pyridinyl-1H-1,2,3-triazolyldihydroisoxazoles as potent inhibitors of tubulin polymerization.

description: Small molecule binding data for protein Tubulin, Uniprot Q6B856
DOI: 10.7270/q21v5gf2
title: BindingDB Entry 50043947: Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones.

description: Small molecule binding data for protein Aldehyde dehydrogenase (ALDH2), Aldehyde dehydrogenase 1A1 (ALDH1A1), and Aldehyde dehydrogenase 3A1 (ALDH3A1), Uniprot P00352, P05091, and P30838
DOI: 10.7270/q2280989
title: BindingDB Entry 50045439: SAR-studies of¿-secretase modulators with PPAR¿-agonistic and 5-lipoxygenase-inhibitory activity for Alzheimer's disease.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Cyclooxygenase, Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2, Peroxisome proliferator-activated receptor, Presenilin-1, Prostaglandin E synthase, and Prostaglandin G/H synthase (cyclooxygenase), Uniprot O14684, P05979, P09917, P35354, P37231, P49768, P49810, Q8WW43, Q92542, Q96BI3, and Q9NZ42
DOI: 10.7270/q25m6767
title: BindingDB Entry 50043946: Design, synthesis, and evaluation of conformationally restricted acetanilides as potent and selectiveß3 adrenergic receptor agonists for the treatment of overactive bladder.

description: Small molecule binding data for protein Beta-3 adrenergic receptor, Cytochrome P450 2C9, and Cytochrome P450 2D6 (2D6), Uniprot O02662, P10635, P11712, and Q28524
DOI: 10.7270/q2611201
title: BindingDB Entry 50045438: Design, synthesis and evaluation of isoxazolo[5,4-d]pyrimidin-4(5H)-one derivatives as antithrombotic agents.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III and Prothrombin, Uniprot P00734 and P00742
DOI: 10.7270/q29c6zx5
title: BindingDB Entry 50043945: Design of potent and selective inhibitors to overcome clinical anaplastic lymphoma kinase mutations resistant to crizotinib.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Leukocyte tyrosine kinase receptor, NT-3 growth factor receptor, Neurotrophic tyrosine kinase receptor, Neurotrophic tyrosine kinase receptor type 2, PTK2B protein tyrosine kinase 2 beta (PTK2B), Proto-oncogene tyrosine-protein kinase ROS, Tyrosine kinase non-receptor protein 2, Tyrosine-protein kinase FER, Tyrosine-protein kinase Fes/Fps, and Tyrosine-protein kinase JAK2, Uniprot O60674, P04629, P07332, P08922, P16591, P29376, Q05397, Q07912, Q14289, Q16288, Q16620, and Q9UM73
DOI: 10.7270/q29s1skv
title: BindingDB Entry 50044452: Synthesis of 5-methyl phenanthridium derivatives: a new class of human DOPA decarboxylase inhibitors.

description: Small molecule binding data for protein Aromatic-L-amino-acid decarboxylase, Uniprot P20711
DOI: 10.7270/q29s1sp6
title: BindingDB Entry 50045437: Novel pyrazole-5-carboxamide and pyrazole-pyrimidine derivatives: synthesis and anticancer activity.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2bv7j12
title: BindingDB Entry 50042861: Phenylimino-2H-chromen-3-carboxamide derivatives as novel small molecule inhibitors ofß-secretase (BACE1).

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2db838n
title: BindingDB Entry 50043325: The discovery of inhibitors of Fas-mediated cell death pathway using the combined computational method.

description: Small molecule binding data for protein Tumor necrosis factor receptor superfamily member 6, Uniprot Q63199
DOI: 10.7270/q2f47qnw
title: BindingDB Entry 50043944: Back pocket flexibility provides group II p21-activated kinase (PAK) selectivity for type I 1/2 kinase inhibitors.

description: Small molecule binding data for protein 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, Q13153, Q13177, Q9NQU5, and Q9P286
DOI: 10.7270/q2fj2jb1
title: BindingDB Entry 50044451: Benzo[d]isothiazole 1,1-dioxide derivatives as dual functional inhibitors of 5-lipoxygenase and microsomal prostaglandin E(2) synthase-1.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP and Prostaglandin E synthase, Uniprot O14684 and P09917
DOI: 10.7270/q2fq9z6k
title: BindingDB Entry 50044985: Synthesis and evaluation of N-acyl-substituted 1,2-benzisothiazol-3-one derivatives as caspase-3 inhibitors.

description: Small molecule binding data for protein Caspase-3 and Caspase-7, Uniprot P42574 and P55210
DOI: 10.7270/q2gm88pg
title: BindingDB Entry 50042860: Discovery of thienopyrimidine-based inhibitors of the human farnesyl pyrophosphate synthase--parallel synthesis of analogs via a trimethylsilyl ylidene intermediate.

description: Small molecule binding data for protein Farnesyl diphosphate synthase, Uniprot P14324
DOI: 10.7270/q2jw8gdr
title: BindingDB Entry 50043943: Synthesis, nicotinic acetylcholine receptor binding, and antinociceptive properties of 2'-fluoro-3'-(substituted pyridinyl)-7-deschloroepibatidine analogues.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit, Uniprot P04757 and P12392
DOI: 10.7270/q2k93936
title: BindingDB Entry 50044450: a-Tetralone derivatives as inhibitors of monoamine oxidase.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2kh0pxf
title: BindingDB Entry 50044984: Ether modifications to 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine (SA4503): effects on binding affinity and selectivity for sigma receptors and monoamine transporters.

description: Small molecule binding data for protein SLC6A3, SLC6A4, and Sigma-1 receptor, Uniprot Q60492, Q60857, and Q61327
DOI: 10.7270/q2m90b1w
title: BindingDB Entry 50042859: Discovery of disubstituted piperidines and homopiperidines as potent dual NK1 receptor antagonists-serotonin reuptake transporter inhibitors for the treatment of depression.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, Neurokinin 1 receptor, Neurokinin 2 receptor, Neurokinin 3 receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P08908, P21452, P23975, P25103, P28222, P28223, P28335, P29371, P31645, P41595, and Q01959
DOI: 10.7270/q2nv9kpj
title: BindingDB Entry 50043323: Investigation of acyclic uridine amide and 5'-amido nucleoside analogues as potential inhibitors of the Plasmodium falciparum dUTPase.

description: Small molecule binding data for protein Deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase), Uniprot P33316
DOI: 10.7270/q2pn974g
title: BindingDB Entry 50043942: Structure-based design of new dihydrofolate reductase antibacterial agents: 7-(benzimidazol-1-yl)-2,4-diaminoquinazolines.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR) and Dihydrofolate reductase, Uniprot P00374 and P0A017
DOI: 10.7270/q2q241s2
title: BindingDB Entry 50044449: Serendipitous oxidation product of BIBN4096BS: a potent CGRP receptor antagonist.

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor, Uniprot Q16602