cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2542r9f
title: BindingDB Entry 50003259: Discovery of potent anti-convulsant carbonic anhydrase inhibitors: Design, synthesis, in vitro and in vivo appraisal.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, P00915, P00918, P43166, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q21c20k3
title: BindingDB Entry 50003260: Exploration of carboxy pyrazole derivatives: Synthesis, alkaline phosphatase, nucleotide pyrophosphatase/phosphodiesterase and nucleoside triphosphate diphosphohydrolase inhibition studies with potential anticancer profile.

description: Small molecule binding data for protein Alkaline phosphatase, tissue-nonspecific isozyme, Ectonucleoside triphosphate diphosphohydrolase 1, Ectonucleotide pyrophosphatase/phosphodiesterase family member 1, Ectonucleotide pyrophosphatase/phosphodiesterase family member 3, and X-linked inhibitor of apoptosis protein (XIAP), Uniprot A0A024RAB4, O14638, P05186, P22413, P97687, and P98170
DOI: 10.7270/q2wm1h3t
title: BindingDB Entry 50003261: Structural insight into the optimization of ethyl 5-hydroxybenzo[g]indol-3-carboxylates and their bioisosteric analogues as 5-LO/m-PGES-1 dual inhibitors able to suppress inflammation.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase and Prostaglandin E synthase/G/H synthase 2, Uniprot O14684 and P09917
DOI: 10.7270/q2rv0rdj
title: BindingDB Entry 50003262: Novel curcumin analogue hybrids: Synthesis and anticancer activity.

description: Small molecule binding data for protein Thioredoxin reductase 1 (TrxR), Uniprot Q16881,A0A087WSY9
DOI: 10.7270/q2hd7zb4
title: BindingDB Entry 50003264: Synergistic inhibition of the Hedgehog pathway by newly designed Smo and Gli antagonists bearing the isoflavone scaffold.

description: Small molecule binding data for protein Smoothened homolog and Zinc finger protein GLI1, Uniprot P47806, P56726, and Q4VBD5
DOI: 10.7270/q2n300ph
title: BindingDB Entry 50003263: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A, Amine oxidase [flavin-containing] B, Arachidonate 5-lipoxygenase, Cholinesterases; ACHE & BCHE, Sigma intracellular receptor 2, and Sigma-1 receptor, Uniprot P06276, P09917, P21397, P22303, P27338, Q53YE7, Q5U3Y7, and Q60492
DOI: 10.7270/q2cn76ms
title: BindingDB Entry 50003265: New aziridine-based inhibitors of cathepsin L-like cysteine proteases with selectivity for the Leishmania cysteine protease LmCPB2.8.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin (L and K), Cathepsin B-like protease, Cruzipain, Falcipain 2, and Rhodesain, Uniprot A0A024R276, A0A024R374, P07711, P07858, P25779, P90627, Q598P5, Q95PM0, and Q9N6S8
DOI: 10.7270/q20c4zfb
title: BindingDB Entry 50003268: 6-Arylthio-3-hydroxypyrimidine-2,4-diones potently inhibited HIV reverse transcriptase-associated RNase H with antiviral activity.

description: Small molecule binding data for protein Gag-Pol polyprotein, Human immunodeficiency virus type 1 reverse transcriptase, and Integrase, Uniprot F2WR39,F2WR52,Q76353, P04585, and Q72547
DOI: 10.7270/q2445q52
title: BindingDB Entry 50003267: Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q27w6fw2
title: BindingDB Entry 50003266: Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P06276 and P22303
DOI: 10.7270/q2m61nxm
title: BindingDB Entry 50003271: Discovery of a benzenesulfonamide-based dual inhibitor of microsomal prostaglandin E

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Leukotriene C4 synthase, and Prostaglandin E synthase/G/H synthase 2, Uniprot O14684, P09917, and Q16873
DOI: 10.7270/q2qv3q7q
title: BindingDB Entry 50003270: Lead-like Drugs: A Perspective.

description: Small molecule binding data for protein Phosphodiesterase 4 and 5 (PDE4 and PDE5), cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cAMP-specific 3',5'-cyclic phosphodiesterase 4C isoform 1, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot A0A140VJR0, P27815, Q07343, Q08493, Q08499, and X5DNX5
DOI: 10.7270/q2vm4fz1
title: BindingDB Entry 50003269: 6-Biphenylmethyl-3-hydroxypyrimidine-2,4-diones potently and selectively inhibited HIV reverse transcriptase-associated RNase H.

description: Small molecule binding data for protein Gag-Pol polyprotein, Human immunodeficiency virus type 1 reverse transcriptase, and Integrase, Uniprot F2WR39,F2WR52,Q76353, P04585, and Q72547
DOI: 10.7270/q2gf0x69
title: BindingDB Entry 50003272: Synthesis, anticancer activity and molecular modeling studies of 1,2,4-triazole derivatives as EGFR inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and Serine/threonine-protein kinase B-raf, Uniprot P00533 and P28028
DOI: 10.7270/q26w9drp
title: BindingDB Entry 50003274: In silico fragment-based drug design with SEED.

description: Small molecule binding data for protein 3-dehydroquinate dehydratase, ATPase family AAA domain-containing protein 2, Beta-secretase (BACE), Bromodomain adjacent to zinc finger domain protein 2B, Bromodomain-containing protein 4, CREB-binding protein/Histone acetyltransferase p300, and Genome polyprotein, Uniprot A0A024R3D7, A0A024R9G7, O60885, P06935, P56817, Q48255, Q6PL18, Q92793, and Q9UIF8
DOI: 10.7270/q2bp05gz
title: BindingDB Entry 50003273: Structure-activity relationship and conformational studies of the natural product cyclic depsipeptides YM-254890 and FR900359.

description: Small molecule binding data for protein Guanine nucleotide-binding protein G(o) subunit alpha, Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas, and Guanine nucleotide-binding protein subunit alpha-11, Uniprot P29992, P59215, and Q5JWF2
DOI: 10.7270/q2348p24
title: BindingDB Entry 50003275: Novel hydrazido benzenesulfonamides-isatin conjugates: Synthesis, carbonic anhydrase inhibitory activity and molecular modeling studies.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, O43570, P00915, P00918, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q2tq647c
title: BindingDB Entry 50003277: Azulene-based compounds for targeting orexin receptors.

description: Small molecule binding data for protein Orexin receptor type 1 and Orexin receptor type 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q2zc85kt
title: BindingDB Entry 50003276: Difuran-substituted quinoxalines as a novel class of PI3Kα H1047R mutant inhibitors: Synthesis, biological evaluation and structure-activity relationship.

description: Small molecule binding data for protein PIK3CG/PIK3R1, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, and p110α/p85α, Uniprot A0A024R720, A0A2K8FKV1, A0A2X0SFG1, O00329, P27986, P42336, P42338, and P48736
DOI: 10.7270/q2pz5cj3
title: BindingDB Entry 50003278: Novel spiroindoline HDAC inhibitors: Synthesis, molecular modelling and biological studies.

description: Small molecule binding data for protein Cereblon/Histone deacetylase 1, Histone deacetylase 6, and Histone deacetylase 8, Uniprot A0A024QZ26, Q13547, Q6IT96, Q9BY41, and Q9UBN7
DOI: 10.7270/q2ff3w3c
title: BindingDB Entry 50003281: Discovery of a potent non-oxime reactivator of nerve agent inhibited human acetylcholinesterase.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P22303
DOI: 10.7270/q2k64mtp
title: BindingDB Entry 50003279: Design, synthesis, antiproliferative activity, molecular docking and cell cycle analysis of some novel (morpholinosulfonyl) isatins with potential EGFR inhibitory activity.

description: Small molecule binding data for protein Epidermal growth factor receptor, Receptor tyrosine-protein kinase erbB-2, and Vascular endothelial growth factor receptor, Uniprot L7RSL3, P00533, P04626, P17948, P35916, P35968, and X5DNK3
DOI: 10.7270/q29p34c1
title: BindingDB Entry 50003282: Donepezil-butylated hydroxytoluene (BHT) hybrids as Anti-Alzheimer's disease agents with cholinergic, antioxidant, and neuroprotective properties.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase (flavin-containing) A, Amine oxidase [flavin-containing] B, Cholinesterase, and Cholinesterases; ACHE & BCHE, Uniprot O42275, P06276, P21397, P22303, P27338, P81908, and Q53YE7
DOI: 10.7270/q2251mxw
title: BindingDB Entry 50003284: Design, synthesis, docking studies and biological screening of 2-thiazolyl substituted -2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazines as potent HIV-1 reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q25x2cn9
title: BindingDB Entry 50003283: Pyrazinyl ureas revisited: 1-(3-(Benzyloxy)pyrazin-2-yl)-3-(3,4-dichlorophenyl)urea, a new blocker of Aβ-induced mPTP opening for Alzheimer's disease.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Uniprot P40989
DOI: 10.7270/q2xg9ttx
title: BindingDB Entry 50003285: Pyridine bioisosteres of potent GluN2B subunit containing NMDA receptor antagonists with benzo[7]annulene scaffold.

description: Small molecule binding data for protein GluN1/GluN2B NMDA receptor, Sigma intracellular receptor 2, and Sigma-1 receptor, Uniprot Q05586, Q13224, Q5U3Y7, and Q60492
DOI: 10.7270/q2nz8bc8
title: BindingDB Entry 50003287: Design, synthesis and biological evaluation of novel naphthoquinone derivatives as IDO1 inhibitors.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase and Tryptophan 2,3-dioxygenase, Uniprot A0A348GSI3, P14902, and P48775
DOI: 10.7270/q2sq9330
title: BindingDB Entry 50003286: Identification of crizotinib derivatives as potent SHIP2 inhibitors for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2), Uniprot O15357
DOI: 10.7270/q2j67knv
title: BindingDB Entry 50003288: Purple acid phosphatase inhibitors as leads for osteoporosis chemotherapeutics.

description: Small molecule binding data for protein Purple acid phosphatase and Tartrate-resistant acid phosphatase type 5, Uniprot P09889 and Q9LL79
DOI: 10.7270/q28p637n
title: BindingDB Entry 50003290: Discovery of dual GyrB/ParE inhibitors active against Gram-negative bacteria.

description: Small molecule binding data for protein DNA Topoisomerase IV Subunit B and DNA gyrase subunit B, Uniprot P0AES6 and P20083
DOI: 10.7270/q2df6tx4
title: BindingDB Entry 50003289: Pyrrolopyrimidines: An update on recent advancements in their medicinal attributes.

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase Src, Tyrosine-protein kinase Fyn, and Tyrosine-protein kinase Lyn, Uniprot P06241, P07948, and P12931
DOI: 10.7270/q24x5bhx
title: BindingDB Entry 50003291: 5'-Chloro-2,2'-dihydroxychalcone and related flavanoids as treatments for prostate cancer.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2183967
title: BindingDB Entry 50003292: Small molecule-induced degradation of the full length and V7 truncated variant forms of human androgen receptor.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275 and P15207
DOI: 10.7270/q2wh2sqj
title: BindingDB Entry 50003293: Sulfonyl-containing phenyl-pyrrolyl pentane analogues: Novel non-secosteroidal vitamin D receptor modulators with favorable physicochemical properties, pharmacokinetic properties and anti-tumor activity.

description: Small molecule binding data for protein Retinoic acid receptor RXR-alpha/Vitamin D3 receptor and Vitamin D3 receptor, Uniprot F1D8P8, F1D8Q5, P11473, and P19793
DOI: 10.7270/q2rr21zr
title: BindingDB Entry 50003294: Discovery of new 2, 5-disubstituted 1,3-selenazoles as selective human carbonic anhydrase IX inhibitors with potent anti-tumor activity.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase V, and Carbonic anhydrases; II & IX, Uniprot A0A024RBW9, A0A0S2Z3D0, P00915, P00918, P22748, P35218, Q16790, Q9Y2D0, V9HW21, and V9HWE3
DOI: 10.7270/q2n0197r
title: BindingDB Entry 50003295: ATP citrate lyase (ACLY) inhibitors: An anti-cancer strategy at the crossroads of glucose and lipid metabolism.

description: Small molecule binding data for protein ATP-citrate synthase, Uniprot A0A024R1T9, P16638, and P53396
DOI: 10.7270/q2h70jh1
title: BindingDB Entry 50003296: Boronic ester-linked macrocyclic lipopeptides as serine protease inhibitors targeting Escherichia coli type I signal peptidase.

description: Small molecule binding data for protein Signal peptidase I, Uniprot P00803
DOI: 10.7270/q27p9238
title: BindingDB Entry 50003298: A β-glucuronidase-responsive albumin-binding prodrug for potential selective kinase inhibitor-based cancer chemotherapy.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 9 (CDK9), Dual specificity protein kinase CLK1, Dual specificity protein kinase CLK2, Dual specificity protein kinase CLK3, Dual specificity protein kinase CLK4, Dual specificity tyrosine-phosphorylation-regulated kinase 1B, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 2, Dual-specificity tyrosine-phosphorylation regulated kinase 3, and Glycogen synthase kinase-3, Uniprot A0A024R0I0, A0A024R880, A0A024RB77, A0A090N7W4, B2LUN4, I6LNT8, O35491, O35492, O35493, O43781, O60563, P20248, P22518, P24941, P50750, Q00535, Q13627, Q15078, Q4FJV9, Q92630, and Q9Y463
DOI: 10.7270/q2cf9ssr
title: BindingDB Entry 50003297: Structure-based drug design: Synthesis and biological evaluation of quinazolin-4-amine derivatives as selective Aurora A kinase inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Aurora kinase A/Targeting protein for Xklp2, and Aurora kinase B, Uniprot O14965, P40989, and Q96GD4
DOI: 10.7270/q24170s5
title: BindingDB Entry 50003299: Structure-activity relationship study of hypoxia-activated prodrugs for proteoglycan-targeted chemotherapy in chondrosarcoma.

description: Small molecule binding data for protein Aggrecan core protein, Uniprot P13608
DOI: 10.7270/q208682v
title: BindingDB Entry 50003301: Recent advances of RAF (rapidly accelerated fibrosarcoma) inhibitors as anti-cancer agents.

description: Small molecule binding data for protein BRAF/CRAF, RAF proto-oncogene serine/threonine-protein kinase, and RAF serine/threonine protein kinase, Uniprot A0A024R178, L7RRS6, P04049, P10398, and P15056
DOI: 10.7270/q2vh5rk5
title: BindingDB Entry 50003302: Development of novel amide-derivatized 2,4-bispyridyl thiophenes as highly potent and selective Dyrk1A inhibitors. Part II: Identification of the cyclopropylamide moiety as a key modification.

description: Small molecule binding data for protein Dual specificity protein kinase CLK1/CLK4, Dual specificity tyrosine-phosphorylation-regulated kinase 1B, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, and Serine/threonine-protein kinase haspin, Uniprot A0A024R0I0, P49759, Q13627, Q8TF76, and Q9Y463
DOI: 10.7270/q2qr50vt
title: BindingDB Entry 50003303: Discovery of novel human inosine 5'-monophosphate dehydrogenase 2 (hIMPDH2) inhibitors as potential anticancer agents.

description: Small molecule binding data for protein Inosine-5'-monophosphate dehydrogenase (IMPDH), Uniprot A0A384N6C2 and P12268
DOI: 10.7270/q2m04858
title: BindingDB Entry 50003304: Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKKε for the treatment of obesity.

description: Small molecule binding data for protein Inhibitor of nuclear factor kappa-B kinase subunit epsilon and Serine/threonine-protein kinase TBK1, Uniprot Q14164 and Q9UHD2
DOI: 10.7270/q2bg2rqt
title: BindingDB Entry 50003306: A novel 2,4-diaminopyrimidine derivative as selective inhibitor of protein kinase C theta prevents allograft rejection in a rat heart transplant model.

description: Small molecule binding data for protein PKC alpha and beta-2, Protein kinase C iota type/zeta type, Protein kinase C theta type, and Protein kinase C, PKC; classical/novel, Uniprot A0A024R328, L7RSM7, L7RTI5, P05129, P05771, P17252, P24723, Q02156, Q04759, Q05513, and Q05655
DOI: 10.7270/q2g73hfj
title: BindingDB Entry 50003305: 4-epi-Isofagomine derivatives as pharmacological chaperones for the treatment of lysosomal diseases linked to β-galactosidase mutations: Improved synthesis and biological investigations.

description: Small molecule binding data for protein Beta-galactosidase, Beta-glucosidase, and Probable maltase-glucoamylase 2, Uniprot P16278, Q2M2H8, and Q9HCG7
DOI: 10.7270/q26t0qcc
title: BindingDB Entry 50003307: Synthesis, in vitro and in vivo biological evaluation, COX-1/2 inhibition and molecular docking study of indole-N-acylhydrazone derivatives.

description: Small molecule binding data for protein Prostaglandin E synthase/G/H synthase 2 and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2319zmz
title: BindingDB Entry 50003308: Discovery and anti-inflammatory evaluation of benzothiazepinones (BTZs) as novel non-ATP competitive inhibitors of glycogen synthase kinase-3β (GSK-3β).

description: Small molecule binding data for protein Axin-1/Glycogen synthase kinase-3 beta, Fibroblast growth factor receptor 1, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P11362, P35968, P49841, and Q6FI27
DOI: 10.7270/q2z89g42
title: BindingDB Entry 50003309: Design, synthesis, and systematic evaluation of 4-arylpiperazine- and 4-benzylpiperidine napthyl ethers as inhibitors of monoamine neurotransmitters reuptake.

description: Small molecule binding data for protein Monoamine transporter, Sodium-dependent dopamine transporter, and Sodium-dependent serotonin transporter, Uniprot A0A024R6T9, P23975, P31645, and Q01959
DOI: 10.7270/q2pr7zpm
title: BindingDB Entry 50003312: 6-Benzhydryl-4-amino-quinolin-2-ones as Potent Cannabinoid Type 1 (CB

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cannabinoid receptor 1, Cannabinoid receptor 2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot A0A024RAH7, C1ID52, P05177, P08684, P10635, P11712, P21554, P33261, P34972, P40989, Q6GRK0, S5RV20, and S5TLS4
DOI: 10.7270/q2th8qdb
title: BindingDB Entry 50003311: Discovery of Orally Active Inhibitors of Brahma Homolog (BRM)/SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers.

description: Small molecule binding data for protein Probable global transcription activator SNF2L2 and Transcription activator BRG1, Uniprot A7E2E1, P51531, and P51532
DOI: 10.7270/q2k076zk
title: BindingDB Entry 50003313: Highly Selective MERTK Inhibitors Achieved by a Single Methyl Group.

description: Small molecule binding data for protein High affinity nerve growth factor receptor, Mast/stem cell growth factor receptor Kit, NUAK family SNF1-like kinase 1, Neurotrophic tyrosine kinase receptor, Serine/threonine-protein kinase 2, Serine/threonine-protein kinase SIK2, Tyrosine-protein kinase Mer, Tyrosine-protein kinase receptor FLT3, Tyrosine-protein kinase receptor TYRO3, and Tyrosine-protein kinase receptor UFO, Uniprot A0A024R3G7, A0A024RBL3, O60285, P04629, P10721, P30530, P36888, Q06418, Q12866, Q16288, Q9H0K1, Q9H2G2, and X5D2R1
DOI: 10.7270/q29k4dxv
title: BindingDB Entry 50003315: Development of Dihydrodibenzooxepine Peroxisome Proliferator-Activated Receptor (PPAR) Gamma Ligands of a Novel Binding Mode as Anticancer Agents: Effective Mimicry of Chiral Structures by Olefinic E/ Z-Isomers.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q2f76g8q
title: BindingDB Entry 50003314: Biodegradable Amphipathic Peptide Hydrogels as Extended-Release System for Opioid Peptides.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q25t3p6j
title: BindingDB Entry 50003317: Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2222xg4
title: BindingDB Entry 50003318: Design, Synthesis, Molecular Dynamics Simulation, and Functional Evaluation of a Novel Series of 26RFa Peptide Analogues Containing a Mono- or Polyalkyl Guanidino Arginine Derivative.

description: Small molecule binding data for protein GPR103, Uniprot Q96P65
DOI: 10.7270/q2sj1p9z
title: BindingDB Entry 50003320: Structure-Based Optimization of N-Substituted Oseltamivir Derivatives as Potent Anti-Influenza A Virus Agents with Significantly Improved Potency against Oseltamivir-Resistant N1-H274Y Variant.

description: Small molecule binding data for protein Neuraminidase, Uniprot A5Z252, Q07599, and Q6XV28
DOI: 10.7270/q2x92f07
title: BindingDB Entry 50003319: Discovery and Preclinical Characterization of 5-[4,6-Bis({3-oxa-8-azabicyclo[3.2.1]octan-8-yl})-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine (PQR620), a Highly Potent and Selective mTORC1/2 Inhibitor for Cancer and Neurological Disorders.

description: Small molecule binding data for protein PIK3CG/PIK3R1, Phosphatidylinositol 3-kinase catalytic subunit type 3, 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, Phosphatidylinositol 4-kinase beta, and mTOR/FKBP12A/FKBP12B, Uniprot A0A024R720, A0A2K8FKV1, O00329, P42336, P42338, P42345, P48736, Q8NEB9, and Q9UBF8
DOI: 10.7270/q2db84k3
title: BindingDB Entry 50003323: Structural modifications of diarylpyrimidines (DAPYs) as HIV-1 NNRTIs: Synthesis, anti-HIV activities and SAR.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2j105v6
title: BindingDB Entry 50003322: Receptor-Ligand Interaction Measured by Inductively Coupled Plasma Mass Spectrometry and Selenium Labeling.

description: Small molecule binding data for protein Cholecystokinin receptor and Vasopressin receptor, Uniprot P32239, P37288, and X5D2B0