cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2319v5w
title: BindingDB Entry 50011803: PRO_SELECT: combining structure-based drug design and array-based chemistry for rapid lead discovery. 2. The development of a series of highly potent and selective factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Prothrombin, and Trypsin, Uniprot P00734, P00742, and P00760
DOI: 10.7270/q2319vgx
title: BindingDB Entry 50017425: Design and synthesis of 7H-pyrrolo[2,3-d]pyrimidines as focal adhesion kinase inhibitors. Part 1.

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Uniprot Q05397
DOI: 10.7270/q24t6hsx
title: BindingDB Entry 50013834: Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 3.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin transporter, Uniprot P08908 and P31652
DOI: 10.7270/q24x570z
title: BindingDB Entry 50009627: Consensus bioactive conformation of cyclic GnRH antagonists defined by NMR and molecular modeling.

description: Small molecule binding data for protein Gonadotropin releasing hormone 1 (GnRHR1), Uniprot P30968
DOI: 10.7270/q269731x
title: BindingDB Entry 50015484: Novel diarylsulfonylurea derivatives as potent antimitotic agents.

description: Small molecule binding data for protein Beta tubulin
DOI: 10.7270/q26q1wkg
title: BindingDB Entry 50011797: 6,7-Dihydro-2-benzothiophen-4(5H)-ones: a novel class of GABA-A alpha5 receptor inverse agonists.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-3/gamma-2 subunit, GABA receptor alpha-2/beta-3/gamma-2 subunit, GABA receptor alpha-3/beta-3/gamma-2 subunit, and GABA receptor alpha-5/beta-3/gamma-2 subunit, Uniprot P14867, P18507, P28472, P31644, P34903, and P47869
DOI: 10.7270/q26t0m6w
title: BindingDB Entry 50017420: An efficient, asymmetric solid-phase synthesis of benzothiadiazine-substituted tetramic acids: potent inhibitors of the hepatitis C virus RNA-dependent RNA polymerase.

description: Small molecule binding data for protein Hepatitis C virus NS5B RNA-dependent RNA polymerase, Uniprot Q8JXU8
DOI: 10.7270/q28k78hn
title: BindingDB Entry 50013829: Green tea catechins as a BACE1 (beta-secretase) inhibitor.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q28p5zqw
title: BindingDB Entry 50009626: Design of potent dicyclic (1-5/4-10) gonadotropin releasing hormone (GnRH) antagonists.

description: Small molecule binding data for protein Gonadotropin-releasing hormone receptor, Uniprot P30969
DOI: 10.7270/q29z94dh
title: BindingDB Entry 50015483: Structure-based virtual screening and biological evaluation of potent and selective ADAM12 inhibitors.

description: Small molecule binding data for protein ADAM12, ADAM17, Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10), and Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9), Uniprot O14672, O43184, P78536, and Q13443
DOI: 10.7270/q2bg2n96
title: BindingDB Entry 50011795: Structure-activity relationships of oxime neurokinin antagonists: oxime modifications.

description: Small molecule binding data for protein Neurokinin 1 receptor and Neurokinin 2 receptor, Uniprot P21452 and P25103
DOI: 10.7270/q2bk1bx6
title: BindingDB Entry 50017419: Benzimidazole inhibitors of hepatitis C virus NS5B polymerase: identification of 2-[(4-diarylmethoxy)phenyl]-benzimidazole.

description: Small molecule binding data for protein DNA polymerase (alpha/delta/epsilon), DNA polymerase beta, and Hepatitis C virus NS5B RNA-dependent RNA polymerase, Uniprot P06746, P09884, and Q8JXU8
DOI: 10.7270/q2db818t
title: BindingDB Entry 50013826: Molecular docking studies of natural cholinesterase-inhibiting steroidal alkaloids from Sarcococca saligna.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P04058 and P06276
DOI: 10.7270/q2df6qd5
title: BindingDB Entry 50009625: Design of monocyclic (1-3) and dicyclic (1-3/4-10) gonadotropin releasing hormone (GnRH) antagonists.

description: Small molecule binding data for protein Gonadotropin-releasing hormone receptor, Uniprot P30969
DOI: 10.7270/q2dr2v01
title: BindingDB Entry 50015497: New COX-2/5-LOX inhibitors: apoptosis-inducing agents potentially useful in prostate cancer chemotherapy.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Cyclooxygenase, and Cyclooxygenase-1 (COX-1), Uniprot P09917, P23219, and P35354
DOI: 10.7270/q2f76bvp
title: BindingDB Entry 50011814: Design and synthesis of a novel and potent series of inhibitors of cytosolic phospholipase A(2) based on a 1,3-disubstituted propan-2-one skeleton.

description: Small molecule binding data for protein Phospholipase A2 group 1VB, Uniprot P0C869
DOI: 10.7270/q2fb5252
title: BindingDB Entry 50009615: Fused bicyclic Gly-Asp beta-turn mimics with potent affinity for GPIIb-IIIa. Exploration of the arginine isostere.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2fq9w3d
title: BindingDB Entry 50015482: Discovery of novel 2-(aminoheteroaryl)-thiazole-5-carboxamides as potent and orally active Src-family kinase p56(Lck) inhibitors.

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Cyclin-dependent kinase 4, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), JAK3/JAK1, SRC, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot P04626, P06241, P08631, P09769, P11802, P12931, P24941, P35968, and P52333
DOI: 10.7270/q2gb23nx
title: BindingDB Entry 50017418: Factor VIIa inhibitors: improved pharmacokinetic parameters.

description: Small molecule binding data for protein Coagulation factor III/Factor VIIa (fVIIa), Uniprot P08709 and P13726
DOI: 10.7270/q2j38rs2
title: BindingDB Entry 50009624: Design of potent dicyclic (4-10/5-8) gonadotropin releasing hormone (GnRH) antagonists.

description: Small molecule binding data for protein Gonadotropin-releasing hormone receptor, Uniprot P30969
DOI: 10.7270/q2j38rz9
title: BindingDB Entry 50013824: Synthesis and biological evaluation of 2,4-diamino-6-(arylaminomethyl)pyrido[2,3-d]pyrimidines as inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase and as antiopportunistic infection and antitumor agents.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR) and Dihydrofolate reductase, Uniprot P0ABQ4 and Q920D2
DOI: 10.7270/q2jh3knf
title: BindingDB Entry 50015494: Novel azido and isothiocyanato analogues of [3-(4-phenylalkylpiperazin-1-yl)propyl]bis(4-fluorophenyl)amines as potential irreversible ligands for the dopamine transporter.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Uniprot P23977
DOI: 10.7270/q2k35t7w
title: BindingDB Entry 50017432: The SAR of 4-substituted (6,6-bicyclic) piperidine cathepsin S inhibitors.

description: Small molecule binding data for protein Cathepsin S and HLA-DR antigens-associated invariant chain, Uniprot P04233 and P25774
DOI: 10.7270/q2m32vc8
title: BindingDB Entry 50017416: The geminal dimethyl analogue of Flurbiprofen as a novel Abeta42 inhibitor and potential Alzheimer's disease modifying agent.

description: Small molecule binding data for protein Cyclooxygenase-1 (COX-1), Uniprot P23219
DOI: 10.7270/q2m9082h
title: BindingDB Entry 50013614: Selective 3-amino-2-pyridinone acetamide thrombin inhibitors incorporating weakly basic partially saturated heterobicyclic P1-arginine mimetics.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Prothrombin, and Trypsin, Uniprot P00734, P00742, and P00760
DOI: 10.7270/q2mw2gjw
title: BindingDB Entry 50013842: 2-arylaminothiazoles as high-affinity corticotropin-releasing factor 1 receptor (CRF1R) antagonists: synthesis, binding studies and behavioral efficacy.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1 and Corticotropin releasing factor receptor 2, Uniprot P34998 and Q13324
DOI: 10.7270/q2ns0t9d
title: BindingDB Entry 50013816: 2-Substitution of adenine nucleotide analogues containing a bicyclo[3.1.0]hexane ring system locked in a northern conformation: enhanced potency as P2Y1 receptor antagonists.

description: Small molecule binding data for protein Purinergic receptor P2Y1, Uniprot P47900
DOI: 10.7270/q2nv9hg1
title: BindingDB Entry 50009623: 4-[5-Methyl-3-phenylisoxazol-4-yl]- benzenesulfonamide, valdecoxib: a potent and selective inhibitor of COX-2.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2pv6jzw
title: BindingDB Entry 50017430: Identification and structure-activity relationships of a new series of Melanocortin-4 receptor antagonists.

description: Small molecule binding data for protein Melanocortin receptor 4 and Voltage-gated potassium channel, Uniprot P32245 and Q12809
DOI: 10.7270/q2q81cj0
title: BindingDB Entry 50015479: 3-(2-Methoxytetrahydrofuran-2-yl)pyrazoles: a novel class of potent, selective cyclooxygenase-2 (COX-2) inhibitors.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q2sn085v
title: BindingDB Entry 50009622: Dual function glutamate-related ligands: discovery of a novel, potent inhibitor of glutamate carboxypeptidase II possessing mGluR3 agonist activity.

description: Small molecule binding data for protein metabotropic glutamate 1c, Uniprot Q14832
DOI: 10.7270/q2t1533w
title: BindingDB Entry 50015487: The synthesis and evaluation of [2.2.1]-bicycloazahydantoins as androgen receptor antagonists.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2th8m15
title: BindingDB Entry 50011806: Substituted diphenyl sulfides as selective serotonin transporter ligands: synthesis and in vitro evaluation.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2tm79q2
title: BindingDB Entry 50017429: Factor VIIa inhibitors: a prodrug strategy to improve oral bioavailability.

description: Small molecule binding data for protein Coagulation factor VII, Uniprot P08709
DOI: 10.7270/q2v1248q
title: BindingDB Entry 50015478: Development of an efficient and selective radioligand for bradykinin B1 receptor occupancy studies.

description: Small molecule binding data for protein BDKRB1, BDKRB2, and Bradykinin B1 receptor, Uniprot P30411, P46663, P48748, P97583, and Q9BDQ5
DOI: 10.7270/q2xd10w5
title: BindingDB Entry 50009621: 1-(2-Nitrophenyl)thiosemicarbazides: a novel class of potent, orally active non-peptide antagonist for the bradykinin B(2) receptor.

description: Small molecule binding data for protein BDKRB2, Uniprot P25023
DOI: 10.7270/q2xs5tvz
title: BindingDB Entry 50015486: QSAR modelling of HIV-1 reverse transcriptase inhibition by benzoxazinones using a combination of P_VSA and pharmacophore feature descriptors.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2z89bq1
title: BindingDB Entry 50011805: Development of 2,4-diaminopyrimidines as antimalarials based on inhibition of the S108N and C59R+S108N mutants of dihydrofolate reductase from pyrimethamine-resistant Plasmodium falciparum.

description: Small molecule binding data for protein Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 and Dihydrofolate reductase, Uniprot P00374 and P13922
DOI: 10.7270/q2zc82fs
title: BindingDB Entry 50017426: Synthesis, in vitro and in vivo evaluation of [O-methyl-11C] 2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-butyl}-4-methyl-2H-[1,2,4]-triazine-3,5-dione: a novel agonist 5-HT1A receptor PET ligand.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, Adenosine A2 receptor, Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A3, Adrenergic alpha1B, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, Delta-type opioid receptor, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Histamine H1 receptor, Histamine H2 Receptor, Histamine receptor (H3), Histamine receptor (H4), Kappa-type opioid receptor, Low affinity neurotrophin receptor p75NTR, Muscarinic acetylcholine receptor, P-glycoprotein 1, Serotonin (5-HT) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sigma, Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, Translocator protein, and Voltage-gated potassium channel, Uniprot P08138, P08172, P08173, P08183, P08908, P08912, P08913, P0DMS8, P11229, P14416, P18825, P20309, P21917, P21918, P23975, P25021, P28222, P28223, P28566, P29274, P29275, P30536, P30542, P31645, P34969, P35348, P35367, P35368, P35462, P41143, P41145, P41595, P47898, P50406, Q01959, Q12809, Q4W594, Q99720, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2028qx4
title: BindingDB Entry 50013851: Inhibitors of hepatitis C virus NS3.4A protease 1. Non-charged tetrapeptide variants.

description: Small molecule binding data for protein Hepatitis C virus serine protease, NS3/NS4A, Uniprot Q4JMH3 A3EZI9
DOI: 10.7270/q2057f45
title: BindingDB Entry 50009651: Investigating protein-ligand interactions with a mutant FKBP possessing a designed specificity pocket.

description: Small molecule binding data for protein Mammalian target of Rapamycin (mTORC1), Uniprot P62942
DOI: 10.7270/q2154g73
title: BindingDB Entry 50009632: Selective ET(A) antagonists. 5. Discovery and structure-activity relationships of phenoxyphenylacetic acid derivatives.

description: Small molecule binding data for protein EDNRA, Uniprot P26684
DOI: 10.7270/q21j9985
title: BindingDB Entry 50015502: Synthesis and structure-activity relationships of 4-alkynyloxy phenyl sulfanyl, sulfinyl, and sulfonyl alkyl hydroxamates as tumor necrosis factor-alpha converting enzyme and matrix metalloproteinase inhibitors.

description: Small molecule binding data for protein ADAM17, Collagenase, and Matrix metalloproteinase-1 (MMP1), Uniprot P03956, P14780, P45452, and P78536
DOI: 10.7270/q2222t3z
title: BindingDB Entry 50011822: Molecular interaction of the antagonist N-(piperidin-1-yl)-5-(4-chlorophenyl)-1- (2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide with the CB1 cannabinoid receptor.

description: Small molecule binding data for protein Cannabinoid receptor, Uniprot P20272
DOI: 10.7270/q2251hsv
title: BindingDB Entry 50017438: A novel series of arylsulfonylthiophene-2-carboxamidine inhibitors of the complement component C1s.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Complement C1s, Plasminogen, Prothrombin, Tissue-type plasminogen activator, and Urokinase-type plasminogen activator, Uniprot P00734, P00742, P00747, P00749, P00750, and P09871
DOI: 10.7270/q23t9gm3
title: BindingDB Entry 50013847: 2,5-disubstituted 3,4-dihydro-2H-benzo[b][1,4]thiazepines as potent and selective V2 arginine vasopressin receptor antagonists.

description: Small molecule binding data for protein Vasopressin V1a receptor (V1a) and Vasopressin V2 receptor (V2), Uniprot P30518 and P37288
DOI: 10.7270/q23x85v5
title: BindingDB Entry 50009650: Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Serotonin receptor (2b and 2c), Uniprot P05177, P08684, P10635, P11712, P28223, P28335, P33261, and P41595
DOI: 10.7270/q25b020f
title: BindingDB Entry 50015501: Acetylcholinesterase inhibitory activity of scopolin and scopoletin discovered by virtual screening of natural products.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q25t3jsh
title: BindingDB Entry 50011821: Molecular dynamics and free energy analyses of cathepsin D-inhibitor interactions: insight into structure-based ligand design.

description: Small molecule binding data for protein Cathepsin D, Uniprot P07339
DOI: 10.7270/q25t3k2h
title: BindingDB Entry 50017437: Structure-guided identification of novel VEGFR-2 kinase inhibitors via solution phase parallel synthesis.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1) and Vascular endothelial growth factor receptor 2, Uniprot P06493, P14635, and P35968
DOI: 10.7270/q27m07bc
title: BindingDB Entry 50013846: Synthesis and affinity of a possible byproduct of electrophilic radiolabeling of [123I]IBZM.

description: Small molecule binding data for protein DOPAMINE and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P18901 and P61169
DOI: 10.7270/q27p8xmz
title: BindingDB Entry 50009643: Pyrrolidine inhibitors of human cytosolic phospholipase A(2).

description: Small molecule binding data for protein cPLA2 C2, Uniprot P47712
DOI: 10.7270/q2930sng
title: BindingDB Entry 50015500: Optimization of protein kinase CK2 inhibitors derived from 4,5,6,7-tetrabromobenzimidazole.

description: Small molecule binding data for protein CDK2/Cyclin A/Cyclin A1, Dual specificity mitogen-activated protein kinase kinase 1, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Ribosomal protein S6 kinase alpha 1, and Serine/threonine-protein kinase Sgk1, Uniprot O00141, P20248, P24941, P78396, Q02750, Q13627, and Q15418
DOI: 10.7270/q29g5m4c
title: BindingDB Entry 50011820: Identification of novel cyclooxygenase-2 selective inhibitors using pharmacophore models.

description: Small molecule binding data for protein Cyclooxygenase and Cyclooxygenase-1 (COX-1), Uniprot P23219 and P35354
DOI: 10.7270/q29k49st
title: BindingDB Entry 50017435: Synthesis of novel benzofuran isoxazolines as protein tyrosine phosphatase 1B inhibitors.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2cc103j
title: BindingDB Entry 50013844: Discovery and initial SAR of 2-amino-5-carboxamidothiazoles as inhibitors of the Src-family kinase p56(Lck).

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, JAK3/JAK1, SRC, Tyrosine-protein kinase LCK, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P04626, P06239, P06240, P06241, P08631, P12931, P24941, P35968, P52333, and Q05397
DOI: 10.7270/q2cf9pbp
title: BindingDB Entry 50009640: 2-Substituted tryptamines: agents with selectivity for 5-HT(6) serotonin receptors.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1D, Serotonin (5-HT) receptor, Serotonin 3 (5-HT3) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor 2a and 2c (5HT2A and 5HT2C), and Sodium-dependent noradrenaline transporter, Uniprot P08908, P08909, P14842, P23975, P28221, P28566, P31645, P34969, P46098, P47898, and P50406
DOI: 10.7270/q2d799rr
title: BindingDB Entry 50011837: Reductive amination products containing naphthalene and indole moieties bind to melanocortin receptors.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, Melanocortin receptor 5 (MC5R), and Melanocyte-stimulating hormone receptor, Uniprot P32245, P33032, P41968, and Q01726
DOI: 10.7270/q2db81dm
title: BindingDB Entry 50017451: Structure-activity relationship study between Ornithyl-Proline and Lysyl-Proline based tripeptidomimics as angiotensin-converting enzyme inhibitors.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12821
DOI: 10.7270/q2fb52hj
title: BindingDB Entry 50017433: Specific inhibitors of Plasmodium falciparum thioredoxin reductase as potential antimalarial agents.

description: Small molecule binding data for protein Thioredoxin reductase and Thioredoxin reductase 2, Uniprot P61076, Q16881, Q86VQ6, and Q9NNW7
DOI: 10.7270/q2g44pqj
title: BindingDB Entry 50013858: Inhibitory effects on mitochondrial complex I of semisynthetic mono-tetrahydrofuran acetogenin derivatives.

description: Small molecule binding data for protein Mitochondrial complex I; NADH oxidoreductase, Uniprot P25708 and P52505
DOI: 10.7270/q2h41qvx
title: BindingDB Entry 50013843: Pyridone-containing farnesyltransferase inhibitors: synthesis and biological evaluation.

description: Small molecule binding data for protein Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) and Protein Farnesyltransferase (PFT) Chain B, Uniprot P49354, P49356, and P53609
DOI: 10.7270/q2h70f1h
title: BindingDB Entry 50009639: New azolidinediones as inhibitors of protein tyrosine phosphatase 1B with antihyperglycemic properties.

description: Small molecule binding data for protein Protein-Tyrosine Phosphatase 1B (PTP1B) and Protein-tyrosine phosphatase 1B, Uniprot P18031 and P20417
DOI: 10.7270/q2hm57xc
title: BindingDB Entry 50015508: Synthesis and structure-activity relationships of novel histamine H1 antagonists: indolylpiperidinyl benzoic acid derivatives.

description: Small molecule binding data for protein Histamine H1 receptor and Histamine H2 Receptor, Uniprot P25021 and P31389
DOI: 10.7270/q2j102g1
title: BindingDB Entry 50011832: Novel potent antagonists of human neuropeptide Y-Y5 receptor. Part 4: tetrahydrodiazabenzazulene derivatives.

description: Small molecule binding data for protein Neuropeptide Y receptor type 5 ( NPY Y5), Uniprot Q15761
DOI: 10.7270/q2j38s4z
title: BindingDB Entry 50017447: The synthesis of highly potent, selective, and water-soluble agonists at the human adenosine A3 receptor.

description: Small molecule binding data for protein Adenosine receptor A3, Uniprot P0DMS8
DOI: 10.7270/q2k073kd
title: BindingDB Entry 50011811: Development of long-acting dopamine transporter ligands as potential cocaine-abuse therapeutic agents: chiral hydroxyl-containing derivatives of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine and 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine.

description: Small molecule binding data for protein Dopamine Transporter (DAT) and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2kw5fgd
title: BindingDB Entry 50013857: Utility of boron clusters for drug design. Relation between estrogen receptor binding affinity and hydrophobicity of phenols bearing various types of carboranyl groups.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Uniprot P03372
DOI: 10.7270/q2mw2gcn
title: BindingDB Entry 50009635: Design and synthesis of 13,14-dihydro prostaglandin F(1alpha) analogues as potent and selective ligands for the human FP receptor.

description: Small molecule binding data for protein Prostaglandin E2 receptor, Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP2 subtype (EP2), Prostaglandin E2 receptor EP4 subtype (EP4), Prostanoid DP receptor, Prostanoid FP receptor, Prostanoid IP receptor, and Prostanoid TP receptor, Uniprot P21731, P34995, P35408, P43088, P43115, P43116, P43119, and Q13258