cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2gb25m9
title: BindingDB Entry 50044861: Structure-Metabolism Relationships in the Glucuronidation of d-Amino Acid Oxidase Inhibitors.

description: Small molecule binding data for protein D-Amino Acid Oxidase (DAAO), Uniprot P14920
DOI: 10.7270/q2kh0pqr
title: BindingDB Entry 50043223: Design, synthesis and neuroprotective evaluation of novel tacrine-benzothiazole hybrids as multi-targeted compounds against Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2kh0pt3
title: BindingDB Entry 50043819: Lead modification: amino acid appended indoles as highly effective 5-LOX inhibitors.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2kw5hm1
title: BindingDB Entry 50044324: Pyrazolo[4,3-e][1,2,4]triazine sulfonamides as carbonic anhydrase inhibitors with antitumor activity.

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/q2q81fgx
title: BindingDB Entry 50043222: Synthesis, biological evaluation, X-ray molecular structure and molecular docking studies of RGD mimetics containing 6-amino-2,3-dihydroisoindolin-1-one fragment as ligands of integrinaIIbß3.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2qn685h
title: BindingDB Entry 50042742: Triazolo and imidazo dihydropyrazolopyrimidine potassium channel antagonists.

description: Small molecule binding data for protein Voltage-gated potassium channel subunit Kv1.5, Uniprot P22460
DOI: 10.7270/q2qv3p3h
title: BindingDB Entry 50044859: Discovery of Highly Potent Dual CysLT1 and CysLT2 Antagonist.

description: Small molecule binding data for protein CYSLTR2 and Cysteinyl leukotriene receptor, Uniprot Q9NS75 and Q9Y271
DOI: 10.7270/q2s75hmb
title: BindingDB Entry 50042219: Computational studies on HIV-1 protease inhibitors: influence of calculated inhibitor-enzyme binding affinities on the statistical quality of 3D-QSAR CoMFA models.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2v12673
title: BindingDB Entry 50043221: Discovery of benzamide analogs as negative allosteric modulators of human neuronal nicotinic receptors: pharmacophore modeling and structure-activity relationship studies.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P17787 and P43681
DOI: 10.7270/q2v989m9
title: BindingDB Entry 50044322: 4-Alkyloxyimino derivatives of uridine-5'-triphosphate: distal modification of potent agonists as a strategy for molecular probes of P2Y2, P2Y4, and P2Y6 receptors.

description: Small molecule binding data for protein Purinergic receptor P2Y2, Pyrimidinergic receptor P2Y4, and Pyrimidinergic receptor P2Y6, Uniprot P41231, P51582, and Q15077
DOI: 10.7270/q2vd70tx
title: BindingDB Entry 50042741: Anion inhibition studies of thea-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2vm4dv8
title: BindingDB Entry 50044858: Inhibitors of HGFA, Matriptase, and Hepsin Serine Proteases: A Nonkinase Strategy to Block Cell Signaling in Cancer.

description: Small molecule binding data for protein Hepatocyte growth factor activator, Hepsin, and Matriptase, Uniprot P05981, Q04756, and Q9Y5Y6
DOI: 10.7270/q2xp76dd
title: BindingDB Entry 50043824: TBA

description: Small molecule binding data for protein Metabotropic glutamate receptor 4 (mGluR4), Uniprot Q14833
DOI: 10.7270/q20r9qp8
title: BindingDB Entry 50042225: Structure-activity relationships of methoctramine-related polyamines as muscular nicotinic receptor noncompetitive antagonists. 3. Effect of inserting the tetraamine backbone into a macrocyclic structure.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q22j6d91
title: BindingDB Entry 50043227: Orally available and efficaciousa4ß1/a4ß7 integrin inhibitors.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4 and Integrin alpha-4/beta7, Uniprot P05556, P13612, and P26010
DOI: 10.7270/q22z16vz
title: BindingDB Entry 50042747: Novel imidazophenoxazine-4-sulfonamides: their synthesis and evaluation as potential inhibitors of PDE4.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2348n0t
title: BindingDB Entry 50044864: 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors.

description: Small molecule binding data for protein Beta-secretase 1 and Cathepsin (B and K), Uniprot P07858 and P56817
DOI: 10.7270/q269751r
title: BindingDB Entry 50043226: Discovery of novel oxazolidinedione derivatives as potent and selective mineralocorticoid receptor antagonists.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, P08235, and P10275
DOI: 10.7270/q26w9cpc
title: BindingDB Entry 50044863: A chemical tuned strategy to develop novel irreversible EGFR-TK inhibitors with improved safety and pharmacokinetic profiles.

description: Small molecule binding data for protein AKT/p21CIP1, ALK tyrosine kinase receptor, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 2, Hepatocyte growth factor receptor, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Receptor tyrosine-protein kinase erbB-4 (HER4), Serine/threonine-protein kinase AKT, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase SYK, Tyrosine-protein kinase receptor FLT3, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot O60674, P00519, P00533, P04626, P05177, P08581, P08684, P09619, P10635, P11712, P12931, P16234, P21802, P21860, P31749, P31751, P33261, P36888, P43405, Q15303, and Q9UM73
DOI: 10.7270/q290258t
title: BindingDB Entry 50043829: Inhibition of hypoxia-inducible factor prolyl hydroxylase domain oxygen sensors: tricking the body into mounting orchestrated survival and repair responses.

description: Small molecule binding data for protein Egl nine homolog 1, Egl nine homolog 3, Hypoxia-inducible factor prolyl hydroxylase 1, and Von Hippel-Lindau disease tumor suppressor protein (VBC), Uniprot P40337, Q96KS0, Q9GZT9, and Q9H6Z9
DOI: 10.7270/q2bk1dzg
title: BindingDB Entry 50044862: Design of Fluorine-Containing 3,4-Diarylfuran-2(5H)-ones as Selective COX-1 Inhibitors.

description: Small molecule binding data for protein Cyclooxygenase, Cyclooxygenase-1 (COX-1), Cyclooxygenase-2 (COX-2), and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979, P23219, P35354, and Q05769
DOI: 10.7270/q2d21zwn
title: BindingDB Entry 50042222: Statistical molecular design, parallel synthesis, and biological evaluation of a library of thrombin inhibitors.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2dr2x0v
title: BindingDB Entry 50043828: Discovery and SAR of 5-aminooctahydrocyclopentapyrrole-3a-carboxamides as potent CCR2 antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 2, Uniprot O95950 and P41597
DOI: 10.7270/q2f47qpb
title: BindingDB Entry 50044333: Design, synthesis and biological evaluation of benzylisoquinoline derivatives as multifunctional agents against Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Butyrylcholinesterase (BuChE), and Cholinesterase, Uniprot O42275, P06276, P22303, and P81908
DOI: 10.7270/q2f76dxd
title: BindingDB Entry 50042752: 3D-QSAR studies of 1,2-diaryl-1H-benzimidazole derivatives as JNK3 inhibitors with protective effects in neuronal cells.

description: Small molecule binding data for protein Mitogen-activated protein kinase 10, Uniprot P53779
DOI: 10.7270/q2fq9z1b
title: BindingDB Entry 50043224: Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.

description: Small molecule binding data for protein Cathepsin D, Uniprot P07339
DOI: 10.7270/q2hq417k
title: BindingDB Entry 50042221: Coumarins derivatives as dual inhibitors of acetylcholinesterase and monoamine oxidase.

description: Small molecule binding data for protein Monoamine Oxidase Type B (MAO-B) and Monoamine oxidase, Uniprot P19643 and P21396
DOI: 10.7270/q2jh3npq
title: BindingDB Entry 50043827: TBA

description: Small molecule binding data for protein Prostanoid EP4 receptor, Uniprot P43114
DOI: 10.7270/q2jw8gf6
title: BindingDB Entry 50044332: Scaffold hopping approach to a new series of smoothened antagonists.

description: Small molecule binding data for protein G-protein- coupled-like receptor Smoothened (Smo), Uniprot Q99835
DOI: 10.7270/q2m32xbn
title: BindingDB Entry 50044860: Dihydropyrrolo[2,3-d]pyrimidines: Selective Toll-Like Receptor 9 Antagonists from Scaffold Morphing Efforts.

description: Small molecule binding data for protein Toll-like receptor 7 (TLR7), Toll-like receptor 8 (TLR8), and Toll-like receptor 9 (TLR9), Uniprot Q9NR96, Q9NR97, and Q9NYK1
DOI: 10.7270/q2ng4rx2
title: BindingDB Entry 50042220: Hexahydrochromeno[4,3-b]pyrrole derivatives as acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2p84ddf
title: BindingDB Entry 50043826: TBA

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5, Integrin alpha1/beta1 complex, and Integrin alpha2/beta1, Uniprot P05556, P08648, P17301, and P56199
DOI: 10.7270/q2pn976c
title: BindingDB Entry 50044331: Syk inhibitors with high potency in presence of blood.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, SRC, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase SYK, Tyrosine-protein kinase ZAP-70, Tyrosine-protein kinase receptor FLT3, and Voltage-gated potassium channel, Uniprot O60674, P07948, P07949, P36888, P43403, P43405, Q12809, and Q9UM73
DOI: 10.7270/q2pr7xbq
title: BindingDB Entry 50042750: Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III and Prothrombin, Uniprot P00734 and P00742
DOI: 10.7270/q2pv6mzq
title: BindingDB Entry 50044867: Novel insights into structure and function of factor XIIIa-inhibitor tridegin.

description: Small molecule binding data for protein Coagulation factor XIII, Uniprot P00488
DOI: 10.7270/q2t15528
title: BindingDB Entry 50043229: Vialinin A is a ubiquitin-specific peptidase inhibitor.

description: Small molecule binding data for protein Probable ubiquitin carboxyl-terminal hydrolase FAF-X, Ubiquitin carboxyl-terminal hydrolase 14, Ubiquitin carboxyl-terminal hydrolase 4, Ubiquitin carboxyl-terminal hydrolase 5, and Ubiquitin carboxyl-terminal hydrolase isozyme L1, Uniprot P09936, P45974, P54578, Q13107, and Q93008
DOI: 10.7270/q2t15545
title: BindingDB Entry 50043825: TBA

description: Small molecule binding data for protein Coagulation factor X/antithrombin III and Coagulation factor XI, Uniprot P00742 and P03951
DOI: 10.7270/q2td9zqm
title: BindingDB Entry 50042749: Amino acid derived quinazolines as Rock/PKA inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 9, Rho-associated protein kinase, Serine/threonine-protein kinase MRCK alpha, and c-Jun N-terminal kinase, JNK, Uniprot O75116, P45983, P45984, P53779, Q13464, Q16539, and Q5VT25
DOI: 10.7270/q2td9zwv
title: BindingDB Entry 50044330: Geranyl and neryl triazole bisphosphonates as inhibitors of geranylgeranyl diphosphate synthase.

description: Small molecule binding data for protein Farnesyl diphosphate synthase and Geranylgeranyl Diphosphate Synthase (GGPPS), Uniprot O95749 and P14324
DOI: 10.7270/q2xs5wtb
title: BindingDB Entry 50043228: Structure-based design of flavone-based inhibitors of wild-type and T315I mutant of ABL.

description: Small molecule binding data for protein Tyrosine-protein kinase ABL1, Uniprot P00519
DOI: 10.7270/q2z32166
title: BindingDB Entry 50044329: Preliminary investigations into triazole derived androgen receptor antagonists.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2z60qdf
title: BindingDB Entry 50042748: Spirocyclic replacements for the isatin in the highly selective, muscarinic M1 PAM ML137: the continued optimization of an MLPCN probe molecule.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P11229
DOI: 10.7270/q2zc84g2
title: BindingDB Entry 50044865: Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis.

description: Small molecule binding data for protein Myristoyl-CoA:protein N-myristoyltransferase (Nmt), Peptide N-myristoyltransferase 2, and Voltage-gated potassium channel, Uniprot O60551, P30419, and Q12809
DOI: 10.7270/q21g0nrg
title: BindingDB Entry 50043831: Novel coumarin-dihydropyrazole thio-ethanone derivatives: design, synthesis and anticancer activity.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q21v5ghz
title: BindingDB Entry 50044336: Synthesis and in vitro evaluation of anti-inflammatory activity of ester and amine derivatives of indoline in RAW 264.7 and peritoneal macrophages.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot P23795 and P81908
DOI: 10.7270/q21z45sg
title: BindingDB Entry 50042755: Discovery of dopamine D4 receptor antagonists with planar chirality.

description: Small molecule binding data for protein DRD1, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P35462, and Q95136
DOI: 10.7270/q2251ksp
title: BindingDB Entry 50044872: Antiadhesive properties of glycoclusters against Pseudomonas aeruginosa lung infection.

description: Small molecule binding data for protein PA-I galactophilic lectin, Uniprot Q05097
DOI: 10.7270/q24j0gdj
title: BindingDB Entry 50042224: Identification of potent and novel alpha4beta1 antagonists using in silico screening.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q2571dg6
title: BindingDB Entry 50043830: Discovery of ZAP70 inhibitors by high-throughput docking into a conformation of its kinase domain generated by molecular dynamics.

description: Small molecule binding data for protein Tyrosine-protein kinase JAK2, Tyrosine-protein kinase SYK, and Tyrosine-protein kinase ZAP-70, Uniprot O60674, P43403, and P43405
DOI: 10.7270/q25m677p
title: BindingDB Entry 50044335: Small chemicals with inhibitory effects on PtdIns(3,4,5)P3 binding of Btk PH domain.

description: Small molecule binding data for protein Epsin-1 and Tyrosine-protein kinase BTK, Uniprot Q06187 and Q9Y6I3
DOI: 10.7270/q25q4xfx
title: BindingDB Entry 50042754: Synthesis of tacrine-lophine hybrids via one-pot four component reaction and biological evaluation as acetyl- and butyrylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P37136
DOI: 10.7270/q25x2bjj
title: BindingDB Entry 50044871: Nanomolar-Potency Small Molecule Inhibitor of STAT5 Protein.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3 and Transcription factor STAT5b (STAT5b), Uniprot P40763 and P51692
DOI: 10.7270/q289175q
title: BindingDB Entry 50042223: Analogues of prazosin that bear a benextramine-related polyamine backbone exhibit different antagonism toward alpha1-adrenoreceptor subtypes.

description: Small molecule binding data for protein Alpha adrenergic receptor 1A and 1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P15823, P23944, and P43140
DOI: 10.7270/q29c6zzm
title: BindingDB Entry 50044334: Design, syntheses, and characterization of piperazine based chemokine receptor CCR5 antagonists as anti prostate cancer agents.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q29g5p5n
title: BindingDB Entry 50042753: Synthesis of a novel series of 2-alkylthio substituted naphthoquinones as potent acyl-CoA: cholesterol acyltransferase (ACAT) inhibitors.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1), Uniprot P35610
DOI: 10.7270/q29p337t
title: BindingDB Entry 50044870: Electrophilic warhead-based design of compounds preventing NLRP3 inflammasome-dependent pyroptosis.

description: Small molecule binding data for protein Caspase-1, Uniprot P29466
DOI: 10.7270/q2dv1m9t
title: BindingDB Entry 50043232: Pin1 inhibitors: Pitfalls, progress and cellular pharmacology.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 and Peptidyl-prolyl cis-trans isomerase NIMA-interacting 2, Uniprot Q13526 and Q9Y237
DOI: 10.7270/q2fb54k8
title: BindingDB Entry 50044869: Indolylarylsulfones carrying a heterocyclic tail as very potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2hh6mjb
title: BindingDB Entry 50043835: d-Thiolactones as prodrugs of thiol-based glutamate carboxypeptidase II (GCPII) inhibitors.

description: Small molecule binding data for protein Glutamate carboxypeptidase II, Uniprot Q04609
DOI: 10.7270/q2jh3nmt
title: BindingDB Entry 50043231: 11ß-HSD1 inhibitors from Walsura cochinchinensis.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 1, Uniprot P28845 and P50172
DOI: 10.7270/q2k075n4
title: BindingDB Entry 50042751: Substituted piperidinyl glycinyl 2-cyano-4,5-methano pyrrolidines as potent and stable dipeptidyl peptidase IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2k35w85
title: BindingDB Entry 50044868: Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4), A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5), ADAM17, Collagenase, Matrix metalloproteinase-14 (MMP14), and Stromelysin-1, Uniprot O75173, P08253, P08254, P45452, P50281, P78536, and Q9UNA0
DOI: 10.7270/q2mg7qt4
title: BindingDB Entry 50042229: Synthesis and biological characterization of 1-methyl-1,2,5,6-tetrahydropyridyl-1,2,5-thiadiazole derivatives as muscarinic agonists for the treatment of neurological disorders.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M2 and Muscarinic acetylcholine receptor M2 and M4, Uniprot P08172 and P08173
DOI: 10.7270/q2n87c82
title: BindingDB Entry 50043834: Inhibition of 5-oxo-6,8,11,14-eicosatetraenoic acid-induced activation of neutrophils and eosinophils by novel indole OXE receptor antagonists.

description: Small molecule binding data for protein TG 1019, Uniprot Q8TDS5
DOI: 10.7270/q2ns0w97
title: BindingDB Entry 50042758: Synthesis and biological activity of 5-chloro-N4-substituted phenyl-9H-pyrimido[4,5-b]indole-2,4-diamines as vascular endothelial growth factor receptor-2 inhibitors and antiangiogenic agents.

description: Small molecule binding data for protein Epidermal growth factor receptor, Platelet-derived growth factor receptor beta, and Vascular endothelial growth factor receptor 2, Uniprot P00533, P09619, and P35968
DOI: 10.7270/q2p84d93
title: BindingDB Entry 50043230: Effects of (-)-epicatechin and derivatives on nitric oxide mediated induction of mitochondrial proteins.

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial, Uniprot P29473
DOI: 10.7270/q2r78ghd
title: BindingDB Entry 50042228: A quantitative structure-activity relationship and pharmacophore modeling investigation of aryl-X and heterocyclic bisphosphonates as bone resorption agents.

description: Small molecule binding data for protein Farnesyl diphosphate synthase, Uniprot P14324
DOI: 10.7270/q2s1840s
title: BindingDB Entry 50043833: Design, synthesis, and structure-activity relationship studies of a potent PACE4 inhibitor.

description: Small molecule binding data for protein Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA, Prohormone convertase 2, Subtilisin/kexin type 6, and Subtilisin/kexin type 7, Uniprot P09958, P16519, P29122, and Q16549
DOI: 10.7270/q2sf2xqk
title: BindingDB Entry 50044338: The cannabinoid acids, analogs and endogenous counterparts.

description: Small molecule binding data for protein Cannabinoid receptor 1, Uniprot P21554
DOI: 10.7270/q2tm7cqw
title: BindingDB Entry 50044866: Synthesis of gallinamide A analogues as potent falcipain inhibitors and antimalarials.

description: Small molecule binding data for protein Falcipain-2
DOI: 10.7270/q2w0976p
title: BindingDB Entry 50042226: Synthesis and evaluation of potent and selective beta(3) adrenergic receptor agonists containing acylsulfonamide, sulfonylsulfonamide, and sulfonylurea carboxylic acid isosteres.

description: Small molecule binding data for protein Beta-1 adrenergic receptor, Beta-2 adrenergic receptor and beta-3 adrenergic receptor, and Beta-3 adrenergic receptor, Uniprot P07550, P08588, and P13945
DOI: 10.7270/q2ws8vqd
title: BindingDB Entry 50043832: Synthesis and characterization of a novel series of agonist compounds as potential radiopharmaceuticals for imaging dopamine D2/3 receptors in their high-affinity state.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416
DOI: 10.7270/q2x63pgr
title: BindingDB Entry 50044337: Synthesis and biological evaluation of compounds which contain pyrazole, thiazole and naphthalene ring as antitumor agents.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2xd138b
title: BindingDB Entry 50044873: Synthesis and biological evaluation of novel sigma-1 receptor antagonists based on pyrimidine scaffold as agents for treating neuropathic pain.

description: Small molecule binding data for protein Sigma-1 receptor and Voltage-gated potassium channel, Uniprot Q12809 and Q60492
DOI: 10.7270/q20k2b1t
title: BindingDB Entry 50043839: Design, synthesis and evaluation of second generation MurF inhibitors based on a cyanothiophene scaffold.

description: Small molecule binding data for protein UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
DOI: 10.7270/q20z74tb
title: BindingDB Entry 50044344: Second generation steroidal 4-aminoquinolines are potent, dual-target inhibitors of the botulinum neurotoxin serotype A metalloprotease and P. falciparum malaria.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot P10845