cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2np266b
title: BindingDB Entry 50046506: Revisiting 1,3,4-Oxadiazol-2-ones: Utilization in the Development of ABHD6 Inhibitors.

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 (FAAH), Monoacylglycerol lipase ABHD12, Monoacylglycerol lipase ABHD6, and Monoglyceride lipase, Uniprot O00519, Q8N2K0, Q99685, and Q9BV23
DOI: 10.7270/q2pg1tng
title: BindingDB Entry 50047526: Discovery of triazolopyridinone GS-462808, a late sodium current inhibitor (Late INai) of the cardiac Nav1.5 channel with improved efficacy and potency relative to ranolazine.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Voltage-gated sodium channel subunit Nav1.5, Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1), and Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2), Uniprot P35498, P40989, Q14524, and Q99250
DOI: 10.7270/q2rn39tm
title: BindingDB Entry 50048045: 2-Indolylmethylenebenzofuranones as first effective inhibitors of ABCC2.

description: Small molecule binding data for protein Multidrug resistance-associated protein 2 (MRP2), Uniprot Q92887
DOI: 10.7270/q2t72kc6
title: BindingDB Entry 50047525: Bifunctional Peptide-Based Opioid Agonist-Nociceptin Antagonist Ligands for Dual Treatment of Acute and Neuropathic Pain.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Nociceptin receptor, Opioid receptors; mu and delta, and mu/kappa opioid receptor, Uniprot P32300, P35372, P41143, P41145, P41146, and P97266
DOI: 10.7270/q2wd42jb
title: BindingDB Entry 50048044: Discovery of novel small molecule inhibitors of lysine methyltransferase G9a and their mechanism in leukemia cell lines.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EHMT2, Uniprot Q9Z148
DOI: 10.7270/q2x63pqw
title: BindingDB Entry 50046504: Synthesis and biological evaluation of novel aromatic-heterocyclic biphenyls as potent anti-leukemia agents.

description: Small molecule binding data for protein Breakpoint cluster region protein /Tyrosine-protein kinase ABL, Uniprot P00519 and P11274
DOI: 10.7270/q2z03b2g
title: BindingDB Entry 50047524: Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK).

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Uniprot Q9UM73
DOI: 10.7270/q2057hx9
title: BindingDB Entry 50048051: Discovery of novel Tetrahydrobenzo[b]thiophene and pyrrole based scaffolds as potent and selective CB2 receptor ligands: The structural elements controlling binding affinity, selectivity and functionality.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 1/Mu-type opioid receptor, Uniprot P21554 and P34972
DOI: 10.7270/q20z752w
title: BindingDB Entry 50046511: Synthesis of sulfonamides incorporating piperazinyl-ureido moieties and their carbonic anhydrase I, II, IX and XII inhibitory 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/q21r6sdp
title: BindingDB Entry 50047531: Discovery of triazolopyridine GS-458967, a late sodium current inhibitor (Late INai) of the cardiac NaV 1.5 channel with improved efficacy and potency relative to ranolazine.

description: Small molecule binding data for protein Voltage-gated sodium channel Nav1.5 cardiac isoform and Voltage-gated sodium channel subunit Nav1.5, Uniprot Q14524
DOI: 10.7270/q23x88nq
title: BindingDB Entry 50048050: Ameliorative effects of amide derivatives of 1,3,4-thiadiazoles on scopolamine induced cognitive dysfunction.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P21836
DOI: 10.7270/q24m96bf
title: BindingDB Entry 50046510: Discovery of novel bridged tetrahydronaphthalene derivatives as potent T/L-type calcium channel blockers.

description: Small molecule binding data for protein Calcium channel (Type L), Calcium channel (Type T,L), Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot O95180, P08684, P10635, P11712, Q12809, and Q13936
DOI: 10.7270/q25d8tr4
title: BindingDB Entry 50047530: Discovery of N-(3-((1-Isonicotinoylpiperidin-4-yl)oxy)-4-methylphenyl)-3-(trifluoromethyl)benzamide (CHMFL-KIT-110) as a Selective, Potent, and Orally Available Type II c-KIT Kinase Inhibitor for Gastrointestinal Stromal Tumors (GISTs).

description: Small molecule binding data for protein Epithelial discoidin domain-containing receptor 1, Macrophage colony stimulating factor receptor, Platelet-derived growth factor receptor beta, and Tyrosine-protein kinase Kit (Kit), Uniprot P07333, P09619, P10721, and Q08345
DOI: 10.7270/q27p91cf
title: BindingDB Entry 50048049: New palbociclib analogues modified at the terminal piperazine ring and their anticancer activities.

description: Small molecule binding data for protein Cyclin-dependent kinase 4 and Cyclin-dependent kinase 6, Uniprot P11802 and Q00534
DOI: 10.7270/q2959kfd
title: BindingDB Entry 50047529: Investigation of the Structure-Activity Relationships of Aza-A-Ring Indenoisoquinoline Topoisomerase I Poisons.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 1 and Tyrosyl-DNA phosphodiesterase 2, Uniprot O95551 and Q9NUW8
DOI: 10.7270/q2cj8gbv
title: BindingDB Entry 50047019: Identification of new SUMO activating enzyme 1 inhibitors using virtual screening and scaffold hopping.

description: Small molecule binding data for protein SUMO1 activating enzyme subunit 1, Uniprot Q9UBE0
DOI: 10.7270/q2d50pqr
title: BindingDB Entry 50046508: Exploring new Probenecid-based carbonic anhydrase inhibitors: Synthesis, biological evaluation and docking studies.

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/q2h99714
title: BindingDB Entry 50047018: Dissecting structure-activity-relationships of crebinostat: Brain penetrant HDAC inhibitors for neuroepigenetic regulation.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 3/NCoR1, Uniprot A0A024QZ26, O15379, Q13547, Q92769, and Q9UBN7
DOI: 10.7270/q2hx1ff5
title: BindingDB Entry 50046507: Tight binding enantiomers of pre-clinical drug candidates.

description: Small molecule binding data for protein 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, Methylthioadenosine Phosphorylase (MTAP), Purine Nucleoside Phosphorylase (PNP), and Purine nucleoside phosphorylase, Uniprot P00491 and Q13126
DOI: 10.7270/q2mp552z
title: BindingDB Entry 50046514: Design, synthesis, and in vivo activity of novel inhibitors of delta-5 desaturase for the treatment of metabolic syndrome.

description: Small molecule binding data for protein Fatty acid desaturase 1, Uniprot O60427
DOI: 10.7270/q2n29zsh
title: BindingDB Entry 50047017: Discovery of diamide compounds as diacylglycerol acyltransferase 1 (DGAT1) inhibitors.

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1 (DGAT1), Uniprot O75907
DOI: 10.7270/q2ng4sjj
title: BindingDB Entry 50047534: Stacking with No Planarity?

description: Small molecule binding data for protein Acetylcholinesterase, Aminopeptidase B, Epoxide hydratase, and Prothrombin, Uniprot P00734, P22303, P34913, and Q9H4A4
DOI: 10.7270/q2rv0qjx
title: BindingDB Entry 50047016: Pyridazinone substituted benzenesulfonamides as potent carbonic anhydrase inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2s75j7t
title: BindingDB Entry 50047533: Discovery of enantioselectivity of urea inhibitors of soluble epoxide hydrolase.

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q2vd71fd
title: BindingDB Entry 50048052: Structure-based optimization leads to the discovery of NSC765844, a highly potent, less toxic and orally efficacious dual PI3K/mTOR inhibitor.

description: Small molecule binding data for protein Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2w66nkh
title: BindingDB Entry 50046512: Synthesis, nicotinic acetylcholine receptor binding, in vitro and in vivo pharmacology properties of 3'-(substituted pyridinyl)-deschloroepibatidine analogs.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Uniprot Q05941
DOI: 10.7270/q2wm1g8n
title: BindingDB Entry 50047015: Synthesis and pharmacological evaluation of dehydroabietic acid thiourea derivatives containing bisphosphonate moiety as an inducer of apoptosis.

description: Small molecule binding data for protein CDK2/CycE, Uniprot P24864 and P24941
DOI: 10.7270/q20c4xm5
title: BindingDB Entry 50047022: Identification of N-(6-mercaptohexyl)-3-(4-pyridyl)-1H-pyrazole-5-carboxamide and its disulfide prodrug as potent histone deacetylase inhibitors with in vitro and in vivo anti-tumor efficacy.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 3/NCoR1, Histone deacetylase 4, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q22z17hw
title: BindingDB Entry 50048058: Development of

description: Small molecule binding data for protein Androgen Receptor, Baculoviral IAP repeat-containing protein 2/Estrogen receptor, Estradiol receptor beta (ERβ), Glucocorticoid receptor, and Progesterone receptor, Uniprot P03372, P04150, P06401, P10275, and Q92731
DOI: 10.7270/q23r0vpf
title: BindingDB Entry 50046518: Rigidified A3 Adenosine Receptor Agonists: 1-Deazaadenine Modification Maintains High in Vivo Efficacy.

description: Small molecule binding data for protein Adenosine A3 receptor, Adenosine receptor A1, Adenosine receptor A3, and Serotonin receptor (2b and 2c), Uniprot P0DMS8, P30542, P41595, Q28309, and Q61618
DOI: 10.7270/q2445p9f
title: BindingDB Entry 50047021: Kinetic and X-ray crystallographic investigations on carbonic anhydrase isoforms I, II, IX and XII of a thioureido analog of SLC-0111.

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/q27h1mcq
title: BindingDB Entry 50046517: Discovery of a Potent and Selective ROMK Inhibitor with Pharmacokinetic Properties Suitable for Preclinical Evaluation.

description: Small molecule binding data for protein ATP-sensitive inward rectifier potassium channel 1, ATP-sensitive inward rectifier potassium channel 10, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Inward rectifier potassium channel 13, Inward rectifier potassium channel 2, Inward rectifier potassium channel 4, Renal Outer Medullary Potassium (ROMK), Sodium channel protein type 7 subunit alpha, Voltage-gated potassium channel, and Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2), Uniprot O60928, P08684, P10632, P10635, P11712, P35560, P48048, P48050, P63252, P78508, Q01118, Q12809, and Q99250
DOI: 10.7270/q27s7qnk
title: BindingDB Entry 50047020: A novel library of saccharin and acesulfame derivatives as potent and selective inhibitors of carbonic anhydrase IX and XII isoforms.

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/q2862jcg
title: BindingDB Entry 50047537: Core Replacements in a Potent Series of VEGFR-2 Inhibitors and Their Impact on Potency, Solubility, and hERG.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Vascular endothelial growth factor receptor 2, Uniprot P35968 and P40989
DOI: 10.7270/q2bg2qzj
title: BindingDB Entry 50048056: The synthesis and biological evaluation of alkyl and benzyl naphthyridinium analogs of eupolauridine as potential antimicrobial and cytotoxic agents.

description: Small molecule binding data for protein DNA topoisomerase I (Topo I), Uniprot P11387
DOI: 10.7270/q2c53nn8
title: BindingDB Entry 50046516: Coumarins as anticancer agents: a review on synthetic strategies, mechanism of action and SAR studies.

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q2g44s8z
title: BindingDB Entry 50048055: Identification of Ligand Binding Hot Spots of the Histamine H

description: Small molecule binding data for protein Histamine H1 receptor, Uniprot P35367
DOI: 10.7270/q2gx4db7
title: BindingDB Entry 50046515: Chalcone scaffolds as anti-infective agents: structural and molecular target perspectives.

description: Small molecule binding data for protein Plasmepsin 2, Uniprot P46925
DOI: 10.7270/q2hq41t6
title: BindingDB Entry 50047535: Targeting the Follicle Stimulating Hormone Receptor (FSHR) To Treat Fertility Disorders.

description: Small molecule binding data for protein Follicle stimulating hormone receptor, Uniprot P23945
DOI: 10.7270/q2kw5j0c
title: BindingDB Entry 50048054: Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, and Nicotinamide phosphoribosyltransferase, Uniprot P05177, P08684, P10635, P11712, P33261, and P43490
DOI: 10.7270/q2qn68r4
title: BindingDB Entry 50048053: a-Glucosidase anda-Amylase Inhibitors from Arcytophyllum thymifolium.

description: Small molecule binding data for protein Pancreatic alpha-amylase, Uniprot P00690
DOI: 10.7270/q2qv3pbn
title: BindingDB Entry 50047024: 4H-Thieno[3,2-c]chromene based inhibitors of Notum Pectinacetylesterase.

description: Small molecule binding data for protein Palmitoleoyl-protein carboxylesterase NOTUM, Uniprot Q6P988 and Q8R116
DOI: 10.7270/q2rf5wtb
title: BindingDB Entry 50046513: Synthesis and evaluation of novel 2,4-diaminopyrimidines bearing bicyclic aminobenzazepines for anaplastic lymphoma kinase (ALK) inhibitor.

description: Small molecule binding data for protein ALK tyrosine kinase receptor and Insulin receptor, Uniprot P06213 and Q9UM73
DOI: 10.7270/q2vm4f3t
title: BindingDB Entry 50047023: Melatonergic ligands: Design, synthesis and pharmacological evaluation of novel series of naphthofuranic derivatives.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2C (5-HT2C) and Melatonin receptor, Uniprot P28335, P48039, and P49286
DOI: 10.7270/q2x068z4
title: BindingDB Entry 50047532: Identification of Cyproheptadine as an Inhibitor of SET Domain Containing Lysine Methyltransferase 7/9 (Set7/9) That Regulates Estrogen-Dependent Transcription.

description: Small molecule binding data for protein SET domain-containing protein 7/9 (Set7/9), Uniprot Q8WTS6
DOI: 10.7270/q20003xz
title: BindingDB Entry 50046519: Synthesis of new 4-phenylpyrimidine-2(1H)-thiones and their potency to inhibit COX-1 and COX-2.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2), Uniprot P79208
DOI: 10.7270/q20r9rb6
title: BindingDB Entry 50047539: Discovery of Pyrazolopyridones as a Novel Class of Gyrase B Inhibitors Using Structure Guided Design.

description: Small molecule binding data for protein DNA gyrase and DNA topoisomerase 4 subunit B (parE), Uniprot P0A0K8 and Q2FYS5
DOI: 10.7270/q2348n8d
title: BindingDB Entry 50047029: N-Benzylbenzamides: A Novel Merged Scaffold for Orally Available Dual Soluble Epoxide Hydrolase/Peroxisome Proliferator-Activated Receptor¿ Modulators.

description: Small molecule binding data for protein Epoxide hydratase, Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P34913, P37231, Q03181, and Q07869
DOI: 10.7270/q24j0h11
title: BindingDB Entry 50047538: Evolution of a New Class of VEGFR-2 Inhibitors from Scaffold Morphing and Redesign.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q26q207m
title: BindingDB Entry 50048057: Macrocyclic Inhibitors of ERK2 Kinase.

description: Small molecule binding data for protein MAP kinase ERK2, Uniprot P28482
DOI: 10.7270/q26w9cxh
title: BindingDB Entry 50047028: Sulfonamide inhibition studies of theß-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/q2b859wr
title: BindingDB Entry 50046524: Discovery and optimization of adamantane carboxylic acid derivatives as potent diacylglycerol acyltransferase 1 inhibitors for the potential treatment of obesity and diabetes.

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1, Diacylglycerol O-acyltransferase 1 (DGAT1), and Diacylglycerol O-acyltransferase 2, Uniprot O75907, Q96PD7, and Q9Z2A7
DOI: 10.7270/q2bk1f7g
title: BindingDB Entry 50047027: Structure-activity relationship study of 4-(thiazol-5-yl)benzoic acid derivatives as potent protein kinase CK2 inhibitors.

description: Small molecule binding data for protein Casein Kinase II and Casein kinase II, Uniprot P19784 and P68400
DOI: 10.7270/q2cz392f
title: BindingDB Entry 50047536: Promising Therapeutic Potential of P2X7 Modulators.

description: Small molecule binding data for protein P2X purinoceptor 7 and P2X purinoceptor 7 (P2X7), Uniprot Q64663 and Q99572
DOI: 10.7270/q2fx7c8r
title: BindingDB Entry 50046523: Structure-kinetics relationships of Capadenoson derivatives as adenosine A1 receptor agonists.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P30542
DOI: 10.7270/q2gb25ww
title: BindingDB Entry 50047026: Pyrazole antagonists of the CB1 receptor with reduced brain penetration.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2jw8gw1
title: BindingDB Entry 50048062: Synthesis and structure-activity relationships of novel arylpiperazines as potent antagonists ofa1-adrenoceptor.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P25100, P35348, and P35368
DOI: 10.7270/q2kp83zm
title: BindingDB Entry 50046522: Synthesis, pharmacological evaluation and docking studies of pyrrole structure-based CB2 receptor antagonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2m32xks
title: BindingDB Entry 50047025: Design and discovery of 4-anilinoquinazoline-acylamino derivatives as EGFR and VEGFR-2 dual TK inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and Vascular endothelial growth factor receptor 2, Uniprot P00533 and P35968
DOI: 10.7270/q2pn97mr
title: BindingDB Entry 50048061: PAR2 Modulators Derived from GB88.

description: Small molecule binding data for protein Proteinase-activated receptor 2, Uniprot P55085
DOI: 10.7270/q2qf8vpz
title: BindingDB Entry 50046521: 4-Fluoro-3',4',5'-trimethoxychalcone as a new anti-invasive agent. From discovery to initial validation in an in vivo metastasis model.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Tubulin beta chain, Vascular endothelial growth factor receptor 2, and Voltage-gated potassium channel, Uniprot P02554, P05177, P08684, P10635, P35968, and Q12809
DOI: 10.7270/q2r78h4w
title: BindingDB Entry 50047541: Discovery of Potent and Selective Agonists ofd Opioid Receptor by Revisiting the"Message-Address" Concept.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q2tf009k
title: BindingDB Entry 50048060: Fused Heterocyclic Compounds as Potent Indoleamine-2,3-dioxygenase 1 Inhibitors.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase and Tryptophan 2,3-dioxygenase, Uniprot P14902 and P48775
DOI: 10.7270/q2v69mdp
title: BindingDB Entry 50046520: Design, synthesis and evaluation of semi-synthetic triazole-containing caffeic acid analogues as 5-lipoxygenase inhibitors.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2w097v6
title: BindingDB Entry 50047540: Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors.

description: Small molecule binding data for protein Branched-chain-amino-acid aminotransferase, mitochondrial and Branched-chain-amino-acid transferase, Uniprot O15382 and P54687
DOI: 10.7270/q2z60r1x
title: BindingDB Entry 50048059: Discovery of Potent and Selective Leads against

description: Small molecule binding data for protein Dihydrofolate reductase and Dihydrofolate reductase (DHFR), Uniprot P00374 and Q07422
DOI: 10.7270/q2zc84rn
title: BindingDB Entry 50047030: Novel leucine ureido derivatives as aminopeptidase N inhibitors. Design, synthesis and activity evaluation.

description: Small molecule binding data for protein Aminopeptidase N and HDACs, Uniprot P15144, P15145, Q13547, and Q92769
DOI: 10.7270/q21z46ch
title: BindingDB Entry 50048066: Identification of 4-(2-furanyl)pyrimidin-2-amines as Janus kinase 2 inhibitors.

description: Small molecule binding data for protein JAK2/JAK1, JAK3/JAK1, Tyrosine-protein kinase JAK3, and Tyrosine-protein kinase SYK, Uniprot O60674, P43405, P52333, and Q62137
DOI: 10.7270/q22r3tg5
title: BindingDB Entry 50046526: Synthesis and structure-activity relationship study of a new series of antiparasitic aryloxyl thiosemicarbazones inhibiting Trypanosoma cruzi cruzain.

description: Small molecule binding data for protein Cruzipain, Uniprot P25779
DOI: 10.7270/q23j3fw7
title: BindingDB Entry 50047546: The combination of quinazoline and chalcone moieties leads to novel potent heterodimeric modulators of breast cancer resistance protein (BCRP/ABCG2).

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2 and P-glycoprotein 1, Uniprot P08183 and Q9UNQ0
DOI: 10.7270/q25q4z2d
title: BindingDB Entry 50048065: Design and synthesis of new potent PTP1B inhibitors with the skeleton of 2-substituted imino-3-substituted-5-heteroarylidene-1,3-thiazolidine-4-one: Part I.

description: Small molecule binding data for protein Dual specificity phosphatase Cdc25B and Protein-tyrosine phosphatase 1B, Uniprot P18031 and P30305
DOI: 10.7270/q25x2bt4
title: BindingDB Entry 50047036: Design and synthesis of substituted pyrido[3,2-d]-1,2,3-triazines as potential Pim-1 inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309
DOI: 10.7270/q26h4k6w
title: BindingDB Entry 50046525: Synthesis and in vitro characterization of novel fluorinated derivatives of the TSPO 18 kDa ligand SSR180575.

description: Small molecule binding data for protein Peripheral-Type Benzodiazepine Receptor, Uniprot P16257